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

131533
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]+ 111.005263 119.9
[M-H]- 87.008769 111.3
[M+NH4]+ 106.049868 134.6
[M+K]+ 126.979203 120.6
[M+H-H2O]+ 71.013305 108.1
[M+HCOO]- 133.014246 134.1
[M+CH3COO]- 147.029896 161.2
[M+Na-2H]- 108.990711 117.5
[M]+ 88.01549642 111.6
[M]- 88.01659358 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

literature stripe

Patent stripe

patents stripe