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	209.0
[M+Na]+	433.30770	211.6
[M-H]-	409.31120	208.2
[M+NH4]+	428.35230	219.1
[M+K]+	449.28164	204.3
[M+H-H2O]+	393.31574	202.2
[M+HCOO]-	455.31668	221.4
[M+CH3COO]-	469.33233	229.5
[M+Na-2H]-	431.29315	198.8
[M]+	410.31793	210.9
[M]-	410.31903	210.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.32576

209.0

[M+Na]+

433.30770

211.6

[M-H]-

409.31120

208.2

[M+NH4]+

428.35230

219.1

[M+K]+

449.28164

204.3

[M+H-H2O]+

393.31574

202.2

[M+HCOO]-

455.31668

221.4

[M+CH3COO]-

469.33233

229.5

[M+Na-2H]-

431.29315

198.8

[M]+

410.31793

210.9

[M]-

410.31903

210.9

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