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
4
Annotation Hits

69
References

912
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 140.7
[M+Na]+ 235.99307 146.0
[M-H]- 211.99657 135.4
[M+NH4]+ 231.03767 156.6
[M+K]+ 251.96701 146.9
[M+H-H2O]+ 196.00111 133.9
[M+HCOO]- 258.00205 163.7
[M+CH3COO]- 272.01770 179.4
[M+Na-2H]- 233.97852 140.7
[M]+ 213.00330 140.5
[M]- 213.00440 140.5
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

No patent data available for this compound.