93893-77-7 (C34H50O2)

Structural Information

Molecular Formula

SMILES

CC(C)C(C1=CC(=CC(=C1O)C2CCCC2)C(C)(C)C)C3=CC(=CC(=C3O)C4CCCC4)C(C)(C)C

InChI

InChI=1S/C34H50O2/c1-21(2)30(28-19-24(33(3,4)5)17-26(31(28)35)22-13-9-10-14-22)29-20-25(34(6,7)8)18-27(32(29)36)23-15-11-12-16-23/h17-23,30,35-36H,9-16H2,1-8H3

InChIKey

UQRAQGTURJVHCG-UHFFFAOYSA-N

Compound name

4-tert-butyl-2-[1-(5-tert-butyl-3-cyclopentyl-2-hydroxyphenyl)-2-methylpropyl]-6-cyclopentylphenol

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]+	491.388346	225.6
[M+Na]+	513.370288	226.1
[M-H]-	489.373794	234.8
[M+NH4]+	508.414893	235.3
[M+K]+	529.344228	220.6
[M+H-H2O]+	473.378330	219.2
[M+HCOO]-	535.379271	233.9
[M+CH3COO]-	549.394921	241.9
[M+Na-2H]-	511.355736	214.7
[M]+	490.38052142	221.8
[M]-	490.38161858	221.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.388346

225.6

[M+Na]+

513.370288

226.1

[M-H]-

489.373794

234.8

[M+NH4]+

508.414893

235.3

[M+K]+

529.344228

220.6

[M+H-H2O]+

473.378330

219.2

[M+HCOO]-

535.379271

233.9

[M+CH3COO]-

549.394921

241.9

[M+Na-2H]-

511.355736

214.7

[M]+

490.38052142

221.8

[M]-

490.38161858

221.8

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

93893-77-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe