CID 1060

Pyruvic acid

Structural Information

Molecular Formula
C3H4O3
SMILES
CC(=O)C(=O)O
InChI
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKey
LCTONWCANYUPML-UHFFFAOYSA-N
Compound name
2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

22163
References

131130
Patents

88.016045 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.023321 111.7
[M+Na]+ 111.00526 119.9
[M-H]- 87.008769 111.3
[M+NH4]+ 106.04987 134.6
[M+K]+ 126.97920 120.6
[M+H-H2O]+ 71.013305 108.1
[M+HCOO]- 133.01425 134.1
[M+CH3COO]- 147.02990 161.2
[M+Na-2H]- 108.99071 117.5
[M]+ 88.015496 111.6
[M]- 88.016594 111.6
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.