CID 15302979

63968-74-1

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

COC/C=C/C(=O)O

InChI

InChI=1S/C5H8O3/c1-8-4-2-3-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2+

InChIKey

ZOJKRWXDNYZASL-NSCUHMNNSA-N

Compound name

(E)-4-methoxybut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8165
Patents: 116.04734 Da
Monoisotopic Mass: -0.1
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]+	117.05462	121.2
[M+Na]+	139.03656	128.8
[M-H]-	115.04006	120.4
[M+NH4]+	134.08116	143.2
[M+K]+	155.01050	128.6
[M+H-H2O]+	99.044600	117.1
[M+HCOO]-	161.04554	144.0
[M+CH3COO]-	175.06119	165.7
[M+Na-2H]-	137.02201	127.1
[M]+	116.04679	122.4
[M]-	116.04789	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe