PubChemLite - 2,2-dimethyl-1,3-propanediyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate) (C39H60O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(C)(C)COC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C39H60O6/c1-35(2,3)27-19-25(20-28(33(27)42)36(4,5)6)15-17-31(40)44-23-39(13,14)24-45-32(41)18-16-26-21-29(37(7,8)9)34(43)30(22-26)38(10,11)12/h19-22,42-43H,15-18,23-24H2,1-14H3

InChIKey

BYOVXTQEHIZGIW-UHFFFAOYSA-N

Compound name

[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-dimethylpropyl] 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]+	625.44624	250.0
[M+Na]+	647.42818	225.6
[M-H]-	623.43168	222.5
[M+NH4]+	642.47278	228.5
[M+K]+	663.40212	249.9
[M+H-H2O]+	607.43622	243.2
[M+HCOO]-	669.43716	238.8
[M+CH3COO]-	683.45281	268.2
[M+Na-2H]-	645.41363	247.7
[M]+	624.43841	226.9
[M]-	624.43951	226.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

625.44624

250.0

[M+Na]+

647.42818

225.6

[M-H]-

623.43168

222.5

[M+NH4]+

642.47278

228.5

[M+K]+

663.40212

249.9

[M+H-H2O]+

607.43622

243.2

[M+HCOO]-

669.43716

238.8

[M+CH3COO]-

683.45281

268.2

[M+Na-2H]-

645.41363

247.7

[M]+

624.43841

226.9

[M]-

624.43951

226.9

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

2,2-dimethyl-1,3-propanediyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe