PubChemLite - 110843-98-6 (C31H54N2O6)

Structural Information

Molecular Formula

SMILES

CC1(CC(CC(N1C)(C)C)OC(=O)C2(COC3(CCCCC3)OC2)C(=O)OC4CC(N(C(C4)(C)C)C)(C)C)C

InChI

InChI=1S/C31H54N2O6/c1-26(2)16-22(17-27(3,4)32(26)9)38-24(34)30(20-36-31(37-21-30)14-12-11-13-15-31)25(35)39-23-18-28(5,6)33(10)29(7,8)19-23/h22-23H,11-21H2,1-10H3

InChIKey

HBWIJRHOEJSLPS-UHFFFAOYSA-N

Compound name

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-3,3-dicarboxylate

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]+	551.40548	220.2
[M+Na]+	573.38742	226.0
[M+NH4]+	568.43202	231.4
[M+K]+	589.36136	213.2
[M-H]-	549.39092	225.1
[M+Na-2H]-	571.37287	227.7
[M]+	550.39765	223.1
[M]-	550.39875	223.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

551.40548

220.2

[M+Na]+

573.38742

226.0

[M+NH4]+

568.43202

231.4

[M+K]+

589.36136

213.2

[M-H]-

549.39092

225.1

[M+Na-2H]-

571.37287

227.7

[M]+

550.39765

223.1

[M]-

550.39875

223.1

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

110843-98-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe