PubChemLite - 93803-57-7 (C35H52O2)

Structural Information

Molecular Formula

SMILES

CC(C)C1=CC(=C(C(=C1)C2CCCCCCC2)O)CC3=C(C(=CC(=C3)C(C)C)C4CCCCCCC4)O

InChI

InChI=1S/C35H52O2/c1-24(2)28-19-30(34(36)32(22-28)26-15-11-7-5-8-12-16-26)21-31-20-29(25(3)4)23-33(35(31)37)27-17-13-9-6-10-14-18-27/h19-20,22-27,36-37H,5-18,21H2,1-4H3

InChIKey

LLEGIWXOFYVFCM-UHFFFAOYSA-N

Compound name

2-cyclooctyl-6-[(3-cyclooctyl-2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol

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]+	505.40401	132.2
[M+Na]+	527.38595	133.0
[M-H]-	503.38945	132.6
[M+NH4]+	522.43055	132.6
[M+K]+	543.35989	133.1
[M+H-H2O]+	487.39399	131.1
[M+HCOO]-	549.39493	132.4
[M+CH3COO]-	563.41058	131.9
[M+Na-2H]-	525.37140	130.6
[M]+	504.39618	131.8
[M]-	504.39728	131.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.40401

132.2

[M+Na]+

527.38595

133.0

[M-H]-

503.38945

132.6

[M+NH4]+

522.43055

132.6

[M+K]+

543.35989

133.1

[M+H-H2O]+

487.39399

131.1

[M+HCOO]-

549.39493

132.4

[M+CH3COO]-

563.41058

131.9

[M+Na-2H]-

525.37140

130.6

[M]+

504.39618

131.8

[M]-

504.39728

131.8

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

93803-57-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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