CID 15043592

Dtxsid701373225

Structural Information

Molecular Formula
C4H13NO8P2
SMILES
C(CO)[N+](CP(=O)(O)O)(CP(=O)(O)O)[O-]
InChI
InChI=1S/C4H13NO8P2/c6-2-1-5(7,3-14(8,9)10)4-15(11,12)13/h6H,1-4H2,(H2,8,9,10)(H2,11,12,13)
InChIKey
MIOIODOVJVWPDY-UHFFFAOYSA-N
Compound name
2-hydroxy-N,N-bis(phosphonomethyl)ethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

265.01163 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.01891 162.0
[M+Na]+ 288.00085 161.8
[M-H]- 264.00435 161.5
[M+NH4]+ 283.04545 158.1
[M+K]+ 303.97479 153.4
[M+H-H2O]+ 248.00889 132.5
[M+HCOO]- 310.00983 180.0
[M+CH3COO]- 324.02548 175.1
[M+Na-2H]- 285.98630 148.8
[M]+ 265.01108 153.9
[M]- 265.01218 153.9
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.