CID 5283306

123551-47-3

Structural Information

Molecular Formula

C₁₈H₃₄O

SMILES

CCCC/C=C\CCCCCCCCC/C=C/CO

InChI

InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,16-17,19H,2-4,7-15,18H2,1H3/b6-5-,17-16+

InChIKey

YCOMGIOWVNOOBC-RAPDCGKPSA-N

Compound name

(2E,13Z)-octadeca-2,13-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 938
Patents: 266.26096 Da
Monoisotopic Mass: 7.0
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]+	267.26824	174.2
[M+Na]+	289.25018	176.7
[M-H]-	265.25368	170.9
[M+NH4]+	284.29478	190.3
[M+K]+	305.22412	171.7
[M+H-H2O]+	249.25822	167.9
[M+HCOO]-	311.25916	193.2
[M+CH3COO]-	325.27481	199.7
[M+Na-2H]-	287.23563	174.4
[M]+	266.26041	178.0
[M]-	266.26151	178.0

Literature stripe

literature stripe

Patent stripe

patents stripe