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

921
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

patents stripe