CID 5364718

Methyl 2-pentenoate

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC/C=C/C(=O)OC

InChI

InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h4-5H,3H2,1-2H3/b5-4+

InChIKey

MBAHGFJTIVZLFB-SNAWJCMRSA-N

Compound name

methyl (E)-pent-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 957
Patents: 114.06808 Da
Monoisotopic Mass: 1.4
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]+	115.07536	122.1
[M+Na]+	137.05730	129.9
[M-H]-	113.06080	122.7
[M+NH4]+	132.10190	145.1
[M+K]+	153.03124	130.0
[M+H-H2O]+	97.065340	118.0
[M+HCOO]-	159.06628	145.9
[M+CH3COO]-	173.08193	168.8
[M+Na-2H]-	135.04275	128.2
[M]+	114.06753	124.2
[M]-	114.06863	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe