CID 757

Glycolic acid

Structural Information

Molecular Formula

C₂H₄O₃

SMILES

C(C(=O)O)O

InChI

InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)

InChIKey

AEMRFAOFKBGASW-UHFFFAOYSA-N

Compound name

2-hydroxyacetic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 2471
References: 197407
Patents: 76.016045 Da
Monoisotopic Mass: -1.1
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]+	77.023321	109.6
[M+Na]+	99.005263	117.7
[M-H]-	75.008769	107.8
[M+NH4]+	94.049868	132.4
[M+K]+	114.97920	117.9
[M+H-H2O]+	59.013305	106.1
[M+HCOO]-	121.01425	131.6
[M+CH3COO]-	135.02990	155.5
[M+Na-2H]-	96.990711	116.5
[M]+	76.015496	108.5
[M]-	76.016594	108.5

Literature stripe

literature stripe

Patent stripe

patents stripe