PubChemLite - Irganox 1035 (C38H58O6S)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C38H58O6S/c1-35(2,3)27-21-25(22-28(33(27)41)36(4,5)6)13-15-31(39)43-17-19-45-20-18-44-32(40)16-14-26-23-29(37(7,8)9)34(42)30(24-26)38(10,11)12/h21-24,41-42H,13-20H2,1-12H3

InChIKey

VFBJXXJYHWLXRM-UHFFFAOYSA-N

Compound name

2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylsulfanyl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

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]+	643.40268	264.9
[M+Na]+	665.38462	271.0
[M+NH4]+	660.42922	247.7
[M+K]+	681.35856	265.6
[M-H]-	641.38812	263.0
[M+Na-2H]-	663.37007	264.7
[M]+	642.39485	265.7
[M]-	642.39595	265.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

643.40268

264.9

[M+Na]+

665.38462

271.0

[M+NH4]+

660.42922

247.7

[M+K]+

681.35856

265.6

[M-H]-

641.38812

263.0

[M+Na-2H]-

663.37007

264.7

[M]+

642.39485

265.7

[M]-

642.39595

265.7

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

Irganox 1035

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe