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
6
Annotation Hits

9
References

488
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 115.5
[M+Na]+ 127.00017 123.2
[M-H]- 103.00368 113.6
[M+NH4]+ 122.04478 136.9
[M+K]+ 142.97411 123.4
[M+H-H2O]+ 87.008216 111.7
[M+HCOO]- 149.00916 136.6
[M+CH3COO]- 163.02481 160.7
[M+Na-2H]- 124.98562 120.6
[M]+ 104.01041 114.9
[M]- 104.01150 114.9
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