CID 12251

Methoxyacetic acid

Structural Information

Molecular Formula

C₃H₆O₃

SMILES

COCC(=O)O

InChI

InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)

InChIKey

RMIODHQZRUFFFF-UHFFFAOYSA-N

Compound name

2-methoxyacetic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 187
References: 25315
Patents: 90.03169 Da
Monoisotopic Mass: -0.3
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]+	91.038966	113.9
[M+Na]+	113.02091	123.8
[M+NH4]+	108.06551	121.3
[M+K]+	128.99485	120.2
[M-H]-	89.024414	112.1
[M+Na-2H]-	111.00636	117.3
[M]+	90.031141	114.4
[M]-	90.032239	114.4

Literature stripe

literature stripe

Patent stripe

patents stripe