CID 52940101

Phosphonocytosine

Structural Information

Molecular Formula
C3H5N2O3P
SMILES
C1=CP(=O)(NC(=O)N1)O
InChI
InChI=1S/C3H5N2O3P/c6-3-4-1-2-9(7,8)5-3/h1-2H,(H3,4,5,6,7,8)
InChIKey
MMIJDRVRZBDRJA-UHFFFAOYSA-N
Compound name
2-hydroxy-2-oxo-1,5-dihydro-1,5,2lambda5-diazaphosphinin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.00378 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.01106 127.9
[M+Na]+ 170.99300 136.0
[M-H]- 146.99650 123.8
[M+NH4]+ 166.03760 146.7
[M+K]+ 186.96694 133.7
[M+H-H2O]+ 131.00104 120.4
[M+HCOO]- 193.00198 150.3
[M+CH3COO]- 207.01763 163.7
[M+Na-2H]- 168.97845 132.1
[M]+ 148.00323 123.0
[M]- 148.00433 123.0
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.