CID 94158

Glycidic acid

Structural Information

Molecular Formula

C₃H₄O₃

SMILES

C1C(O1)C(=O)O

InChI

InChI=1S/C3H4O3/c4-3(5)2-1-6-2/h2H,1H2,(H,4,5)

InChIKey

OTGHWLKHGCENJV-UHFFFAOYSA-N

Compound name

oxirane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 23
References: 5018
Patents: 88.016045 Da
Monoisotopic Mass: -0.5
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]+	89.023321	112.6
[M+Na]+	111.005263	122.8
[M-H]-	87.008769	117.4
[M+NH4]+	106.049868	129.5
[M+K]+	126.979203	123.1
[M+H-H2O]+	71.013305	107.5
[M+HCOO]-	133.014246	135.1
[M+CH3COO]-	147.029896	163.9
[M+Na-2H]-	108.990711	121.2
[M]+	88.01549642	115.9
[M]-	88.01659358	115.9

Literature stripe

literature stripe

Patent stripe

patents stripe