CID 557531

14-octadecenal

Structural Information

Molecular Formula

C₁₈H₃₄O

SMILES

CCCC=CCCCCCCCCCCCCC=O

InChI

InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h4-5,18H,2-3,6-17H2,1H3

InChIKey

UCOKZPLTBAPPTF-UHFFFAOYSA-N

Compound name

octadec-14-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 266.26096 Da
Monoisotopic Mass: 7.2
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]+	267.268236	173.4
[M+Na]+	289.250178	176.4
[M-H]-	265.253684	171.6
[M+NH4]+	284.294783	190.3
[M+K]+	305.224118	172.3
[M+H-H2O]+	249.258220	166.9
[M+HCOO]-	311.259161	193.9
[M+CH3COO]-	325.274811	203.1
[M+Na-2H]-	287.235626	174.2
[M]+	266.26041142	179.3
[M]-	266.26150858	179.3

Literature stripe

literature stripe

Patent stripe

patents stripe