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 163.8
[M+Na]+ 261.18250 170.7
[M+NH4]+ 256.22710 168.7
[M+K]+ 277.15644 165.3
[M-H]- 237.18600 160.6
[M+Na-2H]- 259.16795 162.9
[M]+ 238.19273 163.3
[M]- 238.19383 163.3
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