CID 10243212

Homofarnesol

Structural Information

Molecular Formula
C16H28O
SMILES
CC(=CCC/C(=C/CC/C(=C/CCO)/C)/C)C
InChI
InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17/h8,10,12,17H,5-7,9,11,13H2,1-4H3/b15-10+,16-12+
InChIKey
KOICZDDAVPYKKX-NCZFFCEISA-N
Compound name
(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

236.21402 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 165.2
[M+Na]+ 259.20324 168.4
[M-H]- 235.20674 162.7
[M+NH4]+ 254.24784 182.5
[M+K]+ 275.17718 164.7
[M+H-H2O]+ 219.21128 159.8
[M+HCOO]- 281.21222 182.1
[M+CH3COO]- 295.22787 194.5
[M+Na-2H]- 257.18869 162.7
[M]+ 236.21347 165.5
[M]- 236.21457 165.5
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