CID 171794

66508-88-1

Structural Information

Molecular Formula
C4H8NO5P
SMILES
C(/C=C/P(=O)(O)O)N(C=O)O
InChI
InChI=1S/C4H8NO5P/c6-4-5(7)2-1-3-11(8,9)10/h1,3-4,7H,2H2,(H2,8,9,10)/b3-1+
InChIKey
YTTBDWKRMPYBDN-HNQUOIGGSA-N
Compound name
[(E)-3-[formyl(hydroxy)amino]prop-1-enyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

36
Patents

181.014 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.02128 135.9
[M+Na]+ 204.00322 142.5
[M-H]- 180.00672 132.5
[M+NH4]+ 199.04782 154.4
[M+K]+ 219.97716 142.1
[M+H-H2O]+ 164.01126 129.2
[M+HCOO]- 226.01220 162.5
[M+CH3COO]- 240.02785 175.7
[M+Na-2H]- 201.98867 139.4
[M]+ 181.01345 137.1
[M]- 181.01455 137.1
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