CID 25244947

3''-hydroxy-geranylhydroquinone

Structural Information

Molecular Formula
C16H22O3
SMILES
CC(=CCC/C(=C/CC1=C(C=CC(=C1)O)O)/CO)C
InChI
InChI=1S/C16H22O3/c1-12(2)4-3-5-13(11-17)6-7-14-10-15(18)8-9-16(14)19/h4,6,8-10,17-19H,3,5,7,11H2,1-2H3/b13-6-
InChIKey
JIPPNUPHXUEYHJ-MLPAPPSSSA-N
Compound name
2-[(2Z)-3-(hydroxymethyl)-7-methylocta-2,6-dienyl]benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

262.1569 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16418 164.6
[M+Na]+ 285.14612 169.6
[M-H]- 261.14962 163.6
[M+NH4]+ 280.19072 179.5
[M+K]+ 301.12006 164.8
[M+H-H2O]+ 245.15416 158.7
[M+HCOO]- 307.15510 181.3
[M+CH3COO]- 321.17075 191.9
[M+Na-2H]- 283.13157 163.6
[M]+ 262.15635 163.6
[M]- 262.15745 163.6
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