PubChemLite - 41699-00-7 (C32H44O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)O)C2(CCC3C2C4CCC3C4)C5=C(C(=CC(=C5)C)C(C)(C)C)O

InChI

InChI=1S/C32H44O2/c1-18-13-23(30(3,4)5)28(33)25(15-18)32(12-11-22-20-9-10-21(17-20)27(22)32)26-16-19(2)14-24(29(26)34)31(6,7)8/h13-16,20-22,27,33-34H,9-12,17H2,1-8H3

InChIKey

ONZURRLDIFNDKR-UHFFFAOYSA-N

Compound name

2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-3-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol

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]+	461.34142	221.9
[M+Na]+	483.32336	228.1
[M-H]-	459.32686	230.1
[M+NH4]+	478.36796	240.3
[M+K]+	499.29730	221.2
[M+H-H2O]+	443.33140	218.9
[M+HCOO]-	505.33234	231.3
[M+CH3COO]-	519.34799	237.0
[M+Na-2H]-	481.30881	215.7
[M]+	460.33359	222.5
[M]-	460.33469	222.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.34142

221.9

[M+Na]+

483.32336

228.1

[M-H]-

459.32686

230.1

[M+NH4]+

478.36796

240.3

[M+K]+

499.29730

221.2

[M+H-H2O]+

443.33140

218.9

[M+HCOO]-

505.33234

231.3

[M+CH3COO]-

519.34799

237.0

[M+Na-2H]-

481.30881

215.7

[M]+

460.33359

222.5

[M]-

460.33469

222.5

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

41699-00-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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