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: 14380
Patents: 264.24533 Da
Monoisotopic Mass: 6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe