CID 6436081

Linolenyl alcohol

Structural Information

Molecular Formula
C18H32O
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCCO
InChI
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-
InChIKey
IKYKEVDKGZYRMQ-PDBXOOCHSA-N
Compound name
(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

14912
Patents

264.24533 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.25261 172.7
[M+Na]+ 287.23455 175.7
[M-H]- 263.23805 169.5
[M+NH4]+ 282.27915 189.0
[M+K]+ 303.20849 170.1
[M+H-H2O]+ 247.24259 166.6
[M+HCOO]- 309.24353 191.9
[M+CH3COO]- 323.25918 198.2
[M+Na-2H]- 285.22000 173.0
[M]+ 264.24478 175.8
[M]- 264.24588 175.8
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.