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

1898
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

literature stripe

Patent stripe

patents stripe