CID 5364416

41207-34-5

Structural Information

Molecular Formula

C₁₈H₃₆O

SMILES

CCCCCCCCCCCCCCC/C=C/CO

InChI

InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h16-17,19H,2-15,18H2,1H3/b17-16+

InChIKey

NMNAESABLXLQEY-WUKNDPDISA-N

Compound name

(E)-octadec-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 268.2766 Da
Monoisotopic Mass: 7.9
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]+	269.283876	175.6
[M+Na]+	291.265818	177.8
[M-H]-	267.269324	172.3
[M+NH4]+	286.310423	191.7
[M+K]+	307.239758	173.4
[M+H-H2O]+	251.273860	169.2
[M+HCOO]-	313.274801	194.4
[M+CH3COO]-	327.290451	201.2
[M+Na-2H]-	289.251266	175.8
[M]+	268.27605142	180.2
[M]-	268.27714858	180.2

Literature stripe

literature stripe

Patent stripe

patents stripe