CID 105

Phosphohydroxypyruvic acid

Structural Information

Molecular Formula
C3H5O7P
SMILES
C(C(=O)C(=O)O)OP(=O)(O)O
InChI
InChI=1S/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9)
InChIKey
LFLUCDOSQPJJBE-UHFFFAOYSA-N
Compound name
2-oxo-3-phosphonooxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

30
References

1016
Patents

183.9773 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.98458 132.0
[M+Na]+ 206.96652 139.0
[M-H]- 182.97002 127.5
[M+NH4]+ 202.01112 149.8
[M+K]+ 222.94046 139.7
[M+H-H2O]+ 166.97456 125.9
[M+HCOO]- 228.97550 156.0
[M+CH3COO]- 242.99115 171.2
[M+Na-2H]- 204.95197 134.6
[M]+ 183.97675 134.2
[M]- 183.97785 134.2
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