CID 964

Hydroxypyruvic acid

Structural Information

Molecular Formula
C3H4O4
SMILES
C(C(=O)C(=O)O)O
InChI
InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)
InChIKey
HHDDCCUIIUWNGJ-UHFFFAOYSA-N
Compound name
3-hydroxy-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

188
References

3064
Patents

104.010956 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.018232 115.5
[M+Na]+ 127.000174 123.2
[M-H]- 103.003680 113.6
[M+NH4]+ 122.044779 136.9
[M+K]+ 142.974114 123.4
[M+H-H2O]+ 87.008216 111.7
[M+HCOO]- 149.009157 136.6
[M+CH3COO]- 163.024807 160.7
[M+Na-2H]- 124.985622 120.6
[M]+ 104.01040742 114.9
[M]- 104.01150458 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