CID 5327035

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

Structural Information

Molecular Formula
C28H42O2
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

compound 2d structure
2
Annotation Hits

0
References

2
Patents

410.31848 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe