CID 11815329

Methyl 2-(hydroxymethyl)prop-2-enoate

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

COC(=O)C(=C)CO

InChI

InChI=1S/C5H8O3/c1-4(3-6)5(7)8-2/h6H,1,3H2,2H3

InChIKey

RFUCOAQWQVDBEU-UHFFFAOYSA-N

Compound name

methyl 2-(hydroxymethyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3132
Patents: 116.04734 Da
Monoisotopic Mass: -0.2
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]+	117.05462	121.4
[M+Na]+	139.03656	128.8
[M-H]-	115.04006	120.6
[M+NH4]+	134.08116	143.3
[M+K]+	155.01050	129.0
[M+H-H2O]+	99.044600	117.4
[M+HCOO]-	161.04554	143.2
[M+CH3COO]-	175.06119	166.6
[M+Na-2H]-	137.02201	126.0
[M]+	116.04679	121.9
[M]-	116.04789	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe