CID 134442

3-methoxypropanoic acid

Structural Information

Molecular Formula

C₄H₈O₃

SMILES

COCCC(=O)O

InChI

InChI=1S/C4H8O3/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)

InChIKey

YSIKHBWUBSFBRZ-UHFFFAOYSA-N

Compound name

3-methoxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4148
Patents: 104.04734 Da
Monoisotopic Mass: -0.4
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]+	105.05462	118.3
[M+Na]+	127.03656	128.0
[M+NH4]+	122.08116	125.6
[M+K]+	143.01050	124.2
[M-H]-	103.04006	116.5
[M+Na-2H]-	125.02201	121.5
[M]+	104.04679	118.8
[M]-	104.04789	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe