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
9
Annotation Hits

2465
References

163428
Patents

76.016045 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.023321 110.0
[M+Na]+ 99.005263 119.5
[M+NH4]+ 94.049868 117.2
[M+K]+ 114.97920 116.4
[M-H]- 75.008769 107.7
[M+Na-2H]- 96.990711 113.1
[M]+ 76.015496 110.3
[M]- 76.016594 110.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe