PubChemLite - 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]+	491.38835	225.6
[M+Na]+	513.37029	226.1
[M-H]-	489.37379	234.8
[M+NH4]+	508.41489	235.3
[M+K]+	529.34423	220.6
[M+H-H2O]+	473.37833	219.2
[M+HCOO]-	535.37927	233.9
[M+CH3COO]-	549.39492	241.9
[M+Na-2H]-	511.35574	214.7
[M]+	490.38052	221.8
[M]-	490.38162	221.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.38835

225.6

[M+Na]+

513.37029

226.1

[M-H]-

489.37379

234.8

[M+NH4]+

508.41489

235.3

[M+K]+

529.34423

220.6

[M+H-H2O]+

473.37833

219.2

[M+HCOO]-

535.37927

233.9

[M+CH3COO]-

549.39492

241.9

[M+Na-2H]-

511.35574

214.7

[M]+

490.38052

221.8

[M]-

490.38162

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

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