CID 80252

Methyl 3-hydroxypropanoate

Structural Information

Molecular Formula

C₄H₈O₃

SMILES

COC(=O)CCO

InChI

InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3

InChIKey

RVGLEPQPVDUSOJ-UHFFFAOYSA-N

Compound name

methyl 3-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 4689
Patents: 104.04734 Da
Monoisotopic Mass: -0.6
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	118.5
[M+Na]+	127.03656	128.2
[M+NH4]+	122.08116	125.7
[M+K]+	143.01050	124.3
[M-H]-	103.04006	116.6
[M+Na-2H]-	125.02201	121.7
[M]+	104.04679	119.0
[M]-	104.04789	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe