CID 832

4-oxo-o-phosphonohomoserine

Structural Information

Molecular Formula
C4H8NO7P
SMILES
C(C(C(=O)O)N)C(=O)OP(=O)(O)O
InChI
InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)
InChIKey
IXZNKTPIYKDIGG-UHFFFAOYSA-N
Compound name
2-amino-4-oxo-4-phosphonooxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

69
References

695
Patents

213.00385 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.01113 142.4
[M+Na]+ 235.99307 145.7
[M+NH4]+ 231.03767 144.2
[M+K]+ 251.96701 148.0
[M-H]- 211.99657 135.2
[M+Na-2H]- 233.97852 139.5
[M]+ 213.00330 139.7
[M]- 213.00440 139.7
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.