CID 1122

2-hydroxy-3-oxopropanoic acid

Structural Information

Molecular Formula
C3H4O4
SMILES
C(=O)C(C(=O)O)O
InChI
InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1-2,5H,(H,6,7)
InChIKey
QWBAFPFNGRFSFB-UHFFFAOYSA-N
Compound name
2-hydroxy-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

9
References

304
Patents

104.010956 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.01823 117.0
[M+Na]+ 127.00017 125.6
[M+NH4]+ 122.04478 123.1
[M+K]+ 142.97411 123.5
[M-H]- 103.00368 113.6
[M+Na-2H]- 124.98562 118.8
[M]+ 104.01041 116.7
[M]- 104.01150 116.7
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