CID 1549107

Cis,cis-farnesol

Structural Information

Molecular Formula
C15H26O
SMILES
CC(=CCC/C(=C\CC/C(=C\CO)/C)/C)C
InChI
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9-,15-11-
InChIKey
CRDAMVZIKSXKFV-FBXUGWQNSA-N
Compound name
(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

1565
References

36727
Patents

222.19836 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 160.6
[M+Na]+ 245.18758 164.2
[M-H]- 221.19108 158.3
[M+NH4]+ 240.23218 178.4
[M+K]+ 261.16152 160.7
[M+H-H2O]+ 205.19562 155.4
[M+HCOO]- 267.19656 177.8
[M+CH3COO]- 281.21221 191.5
[M+Na-2H]- 243.17303 158.6
[M]+ 222.19781 160.5
[M]- 222.19891 160.5
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