CID 15043598

Dtxsid401373226

Structural Information

Molecular Formula
C4H11NO7P2
SMILES
C1COP(=O)(C[N+]1(CP(=O)(O)O)[O-])O
InChI
InChI=1S/C4H11NO7P2/c6-5(3-13(7,8)9)1-2-12-14(10,11)4-5/h1-4H2,(H,10,11)(H2,7,8,9)
InChIKey
VEHVIINKFQAFFX-UHFFFAOYSA-N
Compound name
(2-hydroxy-4-oxido-2-oxo-1,4,2lambda5-oxazaphosphinan-4-ium-4-yl)methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

247.00107 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.00835 145.4
[M+Na]+ 269.99029 151.6
[M-H]- 245.99379 141.3
[M+NH4]+ 265.03489 161.8
[M+K]+ 285.96423 147.6
[M+H-H2O]+ 229.99833 142.7
[M+HCOO]- 291.99927 169.8
[M+CH3COO]- 306.01492 169.6
[M+Na-2H]- 267.97574 154.4
[M]+ 247.00052 142.5
[M]- 247.00162 142.5
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.