CID 445070

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-YFVJMOTDSA-N
Compound name
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

1570
References

42591
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.