PubChemLite - 2,3-dimethyl-6-geranylgeranyl-1,4-benzoquinol (C28H42O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C(=C1C)O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O

InChI

InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-18-26-19-27(29)24(6)25(7)28(26)30/h11,13,15,17,19,29-30H,8-10,12,14,16,18H2,1-7H3/b21-13+,22-15+,23-17+

InChIKey

QFMVWSPTQOCGTB-TUZVQDLTSA-N

Compound name

2,3-dimethyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzene-1,4-diol

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]+	411.32576	211.5
[M+Na]+	433.30770	219.9
[M+NH4]+	428.35230	215.1
[M+K]+	449.28164	212.7
[M-H]-	409.31120	210.5
[M+Na-2H]-	431.29315	210.5
[M]+	410.31793	212.0
[M]-	410.31903	212.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.32576

211.5

[M+Na]+

433.30770

219.9

[M+NH4]+

428.35230

215.1

[M+K]+

449.28164

212.7

[M-H]-

409.31120

210.5

[M+Na-2H]-

431.29315

210.5

[M]+

410.31793

212.0

[M]-

410.31903

212.0

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

2,3-dimethyl-6-geranylgeranyl-1,4-benzoquinol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe