CID 12054546

Ethyl 9z-tetradecenoate

Structural Information

Molecular Formula

C₁₆H₃₀O₂

SMILES

CCCC/C=C\CCCCCCCC(=O)OCC

InChI

InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h7-8H,3-6,9-15H2,1-2H3/b8-7-

InChIKey

SVEDZEIUAKXCCX-FPLPWBNLSA-N

Compound name

ethyl (Z)-tetradec-9-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 254.22458 Da
Monoisotopic Mass: 5.8
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]+	255.23186	168.6
[M+Na]+	277.21380	172.2
[M-H]-	253.21730	167.2
[M+NH4]+	272.25840	185.9
[M+K]+	293.18774	169.5
[M+H-H2O]+	237.22184	162.4
[M+HCOO]-	299.22278	189.0
[M+CH3COO]-	313.23843	199.0
[M+Na-2H]-	275.19925	169.1
[M]+	254.22403	174.4
[M]-	254.22513	174.4

Literature stripe

literature stripe

Patent stripe

patents stripe