CID 34669

(aminomethylene)bisphosphonic acid

Structural Information

Molecular Formula
CH7NO6P2
SMILES
C(N)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/CH7NO6P2/c2-1(9(3,4)5)10(6,7)8/h1H,2H2,(H2,3,4,5)(H2,6,7,8)
InChIKey
FRCICXIVPRNPLM-UHFFFAOYSA-N
Compound name
[amino(phosphono)methyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

2024
Patents

190.97485 Da
Monoisotopic Mass

-6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.98213 140.2
[M+Na]+ 213.96407 146.2
[M-H]- 189.96757 132.7
[M+NH4]+ 209.00867 156.9
[M+K]+ 229.93801 146.1
[M+H-H2O]+ 173.97211 132.1
[M+HCOO]- 235.97305 167.3
[M+CH3COO]- 249.98870 173.3
[M+Na-2H]- 211.94952 141.7
[M]+ 190.97430 138.2
[M]- 190.97540 138.2
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.