CID 101648403

(2e,6e,9xi)-farnesol

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(=CC(C/C(=C/CC/C(=C/CO)/C)/C)O)C
InChI
InChI=1S/C15H26O2/c1-12(2)10-15(17)11-14(4)7-5-6-13(3)8-9-16/h7-8,10,15-17H,5-6,9,11H2,1-4H3/b13-8+,14-7+
InChIKey
RAFAKSIGGWRDFJ-CCLLZULESA-N
Compound name
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,9-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 164.5
[M+Na]+ 261.18250 167.4
[M-H]- 237.18600 160.8
[M+NH4]+ 256.22710 180.8
[M+K]+ 277.15644 164.1
[M+H-H2O]+ 221.19054 159.4
[M+HCOO]- 283.19148 179.5
[M+CH3COO]- 297.20713 191.7
[M+Na-2H]- 259.16795 160.7
[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

No patent data available for this compound.