CID 23466401

Methyl 2-hydroxy-3-methoxypropanoate

Structural Information

Molecular Formula

C₅H₁₀O₄

SMILES

COCC(C(=O)OC)O

InChI

InChI=1S/C5H10O4/c1-8-3-4(6)5(7)9-2/h4,6H,3H2,1-2H3

InChIKey

RDTIMTCYHCPDEM-UHFFFAOYSA-N

Compound name

methyl 2-hydroxy-3-methoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 134.0579 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]+	135.065176	125.7
[M+Na]+	157.047118	132.7
[M-H]-	133.050624	124.9
[M+NH4]+	152.091723	146.8
[M+K]+	173.021058	134.1
[M+H-H2O]+	117.055160	121.3
[M+HCOO]-	179.056101	147.5
[M+CH3COO]-	193.071751	169.6
[M+Na-2H]-	155.032566	130.3
[M]+	134.05735142	128.4
[M]-	134.05844858	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe