CID 69658

693-38-9

Structural Information

Molecular Formula

C₁₈H₃₄O₂

SMILES

CCCCCCCCCCCCCCCC(=O)OC=C

InChI

InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h4H,2-3,5-17H2,1H3

InChIKey

UJRIYYLGNDXVTA-UHFFFAOYSA-N

Compound name

ethenyl hexadecanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 7140
Patents: 282.2559 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]+	283.26318	177.4
[M+Na]+	305.24512	180.1
[M-H]-	281.24862	175.6
[M+NH4]+	300.28972	193.5
[M+K]+	321.21906	176.9
[M+H-H2O]+	265.25316	170.8
[M+HCOO]-	327.25410	197.2
[M+CH3COO]-	341.26975	205.7
[M+Na-2H]-	303.23057	176.9
[M]+	282.25535	184.1
[M]-	282.25645	184.1

Literature stripe

literature stripe

Patent stripe

patents stripe