CID 14668642

2-oxo-4-phosphonobutanoate(2-)

Structural Information

Molecular Formula
C4H7O6P
SMILES
C(CP(=O)(O)O)C(=O)C(=O)O
InChI
InChI=1S/C4H7O6P/c5-3(4(6)7)1-2-11(8,9)10/h1-2H2,(H,6,7)(H2,8,9,10)
InChIKey
JDJXYEAWFIGKSA-UHFFFAOYSA-N
Compound name
2-oxo-4-phosphonobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

181.99803 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.00531 135.1
[M+Na]+ 204.98725 141.8
[M-H]- 180.99075 130.4
[M+NH4]+ 200.03185 153.1
[M+K]+ 220.96119 141.7
[M+H-H2O]+ 164.99529 129.1
[M+HCOO]- 226.99623 158.5
[M+CH3COO]- 241.01188 171.9
[M+Na-2H]- 202.97270 136.8
[M]+ 181.99748 136.3
[M]- 181.99858 136.3
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