PubChemLite - Nsc686515 (C29H44O2Si)

Structural Information

Molecular Formula

SMILES

CC1CCC2=C(C(=C3C4=C(C=CC1=C24)C(O3)(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C

InChI

InChI=1S/C29H44O2Si/c1-16(2)24-27(31-32(17(3)4,18(5)6)19(7)8)22-13-12-20(9)21-14-15-23-26(25(21)22)28(24)30-29(23,10)11/h14-20H,12-13H2,1-11H3

InChIKey

DGXLZGXIYPZGDM-UHFFFAOYSA-N

Compound name

tri(propan-2-yl)-[(5,13,13-trimethyl-10-propan-2-yl-12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-9-yl)oxy]silane

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]+	453.31835	218.6
[M+Na]+	475.30029	222.6
[M-H]-	451.30379	222.4
[M+NH4]+	470.34489	234.6
[M+K]+	491.27423	219.8
[M+H-H2O]+	435.30833	212.6
[M+HCOO]-	497.30927	224.7
[M+CH3COO]-	511.32492	244.5
[M+Na-2H]-	473.28574	213.8
[M]+	452.31052	224.6
[M]-	452.31162	224.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.31835

218.6

[M+Na]+

475.30029

222.6

[M-H]-

451.30379

222.4

[M+NH4]+

470.34489

234.6

[M+K]+

491.27423

219.8

[M+H-H2O]+

435.30833

212.6

[M+HCOO]-

497.30927

224.7

[M+CH3COO]-

511.32492

244.5

[M+Na-2H]-

473.28574

213.8

[M]+

452.31052

224.6

[M]-

452.31162

224.6

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

Nsc686515

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe