CID 86583467

12-hydroxyfarnesol

Structural Information

Molecular Formula
C15H26O2
SMILES
C/C(=C\CC/C(=C/CO)/C)/CC/C=C(\C)/CO
InChI
InChI=1S/C15H26O2/c1-13(7-5-9-15(3)12-17)6-4-8-14(2)10-11-16/h6,9-10,16-17H,4-5,7-8,11-12H2,1-3H3/b13-6+,14-10+,15-9+
InChIKey
FLIKBVTXNBEPQQ-RDUMTQBOSA-N
Compound name
(2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.19328 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 164.6
[M+Na]+ 261.18250 167.7
[M-H]- 237.18600 160.8
[M+NH4]+ 256.22710 181.0
[M+K]+ 277.15644 163.8
[M+H-H2O]+ 221.19054 159.4
[M+HCOO]- 283.19148 180.6
[M+CH3COO]- 297.20713 190.8
[M+Na-2H]- 259.16795 162.0
[M]+ 238.19273 164.0
[M]- 238.19383 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.