CID 441260

(2s)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid

Structural Information

Molecular Formula
C4H8NO7P
SMILES
C(C(=O)[C@@H](C(=O)O)N)OP(=O)(O)O
InChI
InChI=1S/C4H8NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h3H,1,5H2,(H,7,8)(H2,9,10,11)/t3-/m0/s1
InChIKey
LMKSRFWSQAKTOE-VKHMYHEASA-N
Compound name
(2S)-2-amino-3-oxo-4-phosphonooxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
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 140.5
[M+Na]+ 235.99307 145.7
[M-H]- 211.99657 135.1
[M+NH4]+ 231.03767 156.3
[M+K]+ 251.96701 146.6
[M+H-H2O]+ 196.00111 133.6
[M+HCOO]- 258.00205 163.4
[M+CH3COO]- 272.01770 180.0
[M+Na-2H]- 233.97852 140.4
[M]+ 213.00330 140.4
[M]- 213.00440 140.4
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.