PubChemLite - 4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-6-amine (C20H41NO7SSi2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)OC)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N

InChI

InChI=1S/C20H41NO7SSi2/c1-18(2,3)30(8,9)25-12-15-20(14(21)13-29(22,23)28-20)16(17(24-7)26-15)27-31(10,11)19(4,5)6/h13,15-17H,12,21H2,1-11H3

InChIKey

KMFPKVCQFYEQTF-UHFFFAOYSA-N

Compound name

9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methoxy-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-amine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	496.22151	203.9
[M+Na]+	518.20345	209.1
[M-H]-	494.20695	209.7
[M+NH4]+	513.24805	218.2
[M+K]+	534.17739	211.7
[M+H-H2O]+	478.21149	204.0
[M+HCOO]-	540.21243	212.0
[M+CH3COO]-	554.22808	233.7
[M+Na-2H]-	516.18890	210.9
[M]+	495.21368	214.7
[M]-	495.21478	214.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

496.22151

203.9

[M+Na]+

518.20345

209.1

[M-H]-

494.20695

209.7

[M+NH4]+

513.24805

218.2

[M+K]+

534.17739

211.7

[M+H-H2O]+

478.21149

204.0

[M+HCOO]-

540.21243

212.0

[M+CH3COO]-

554.22808

233.7

[M+Na-2H]-

516.18890

210.9

[M]+

495.21368

214.7

[M]-

495.21478

214.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-6-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe