CID 5356908

2-butenoic acid, hexyl ester, (2z)-

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CCCCCCOC(=O)/C=C\C

InChI

InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4,8H,3,5-7,9H2,1-2H3/b8-4-

InChIKey

MZNHUHNWGVUEAT-YWEYNIOJSA-N

Compound name

hexyl (Z)-but-2-enoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 4387
Patents: 170.13068 Da
Monoisotopic Mass: 3.2
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]+	171.13796	141.0
[M+Na]+	193.11990	150.6
[M+NH4]+	188.16450	148.0
[M+K]+	209.09384	144.4
[M-H]-	169.12340	139.8
[M+Na-2H]-	191.10535	143.6
[M]+	170.13013	141.7
[M]-	170.13123	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe