CID 140003

Methyl 2,3-dihydroxypropanoate

Structural Information

Molecular Formula

C₄H₈O₄

SMILES

COC(=O)C(CO)O

InChI

InChI=1S/C4H8O4/c1-8-4(7)3(6)2-5/h3,5-6H,2H2,1H3

InChIKey

COFCNNXZXGCREM-UHFFFAOYSA-N

Compound name

methyl 2,3-dihydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 376
Patents: 120.04226 Da
Monoisotopic Mass: -1.2
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]+	121.049536	122.0
[M+Na]+	143.031478	129.0
[M-H]-	119.034984	119.9
[M+NH4]+	138.076083	142.9
[M+K]+	159.005418	129.6
[M+H-H2O]+	103.039520	117.9
[M+HCOO]-	165.040461	142.6
[M+CH3COO]-	179.056111	164.0
[M+Na-2H]-	141.016926	126.5
[M]+	120.04171142	122.4
[M]-	120.04280858	122.4

Literature stripe

literature stripe

Patent stripe

patents stripe