PubChemLite - 93893-68-6 (C35H52O2)

Structural Information

Molecular Formula

SMILES

CC1(CC(C2=C(C(=C(C=C21)C(C)(C)C)O)CC3=C4C(=CC(=C3O)C(C)(C)C)C(CC4(C)C)(C)C)(C)C)C

InChI

InChI=1S/C35H52O2/c1-30(2,3)24-16-22-26(34(11,12)18-32(22,7)8)20(28(24)36)15-21-27-23(33(9,10)19-35(27,13)14)17-25(29(21)37)31(4,5)6/h16-17,36-37H,15,18-19H2,1-14H3

InChIKey

YFVWRGVVIOMGGV-UHFFFAOYSA-N

Compound name

6-tert-butyl-4-[(6-tert-butyl-5-hydroxy-1,1,3,3-tetramethyl-2H-inden-4-yl)methyl]-1,1,3,3-tetramethyl-2H-inden-5-ol

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	217.9
[M+Na]+	527.38595	228.5
[M-H]-	503.38945	224.9
[M+NH4]+	522.43055	239.3
[M+K]+	543.35989	222.0
[M+H-H2O]+	487.39399	216.1
[M+HCOO]-	549.39493	227.2
[M+CH3COO]-	563.41058	249.0
[M+Na-2H]-	525.37140	216.7
[M]+	504.39618	224.5
[M]-	504.39728	224.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.40401

217.9

[M+Na]+

527.38595

228.5

[M-H]-

503.38945

224.9

[M+NH4]+

522.43055

239.3

[M+K]+

543.35989

222.0

[M+H-H2O]+

487.39399

216.1

[M+HCOO]-

549.39493

227.2

[M+CH3COO]-

563.41058

249.0

[M+Na-2H]-

525.37140

216.7

[M]+

504.39618

224.5

[M]-

504.39728

224.5

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

93893-68-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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