CID 126841

Carboxyphosphinopyruvate

Structural Information

Molecular Formula
C4H5O7P
SMILES
C(C(=O)C(=O)O)P(=O)(C(=O)O)O
InChI
InChI=1S/C4H5O7P/c5-2(3(6)7)1-12(10,11)4(8)9/h1H2,(H,6,7)(H,8,9)(H,10,11)
InChIKey
YTKWPNBYPYOWCP-UHFFFAOYSA-N
Compound name
3-[carboxy(hydroxy)phosphoryl]-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

195.9773 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.98458 134.6
[M+Na]+ 218.96652 141.2
[M-H]- 194.97002 130.0
[M+NH4]+ 214.01112 151.7
[M+K]+ 234.94046 141.6
[M+H-H2O]+ 178.97456 128.5
[M+HCOO]- 240.97550 157.4
[M+CH3COO]- 254.99115 174.2
[M+Na-2H]- 216.95197 135.5
[M]+ 195.97675 135.8
[M]- 195.97785 135.8
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.