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

3035
Patents

104.010956 Da
Monoisotopic Mass

-1.0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.