CID 16698

6419-19-8

Structural Information

Molecular Formula
C3H12NO9P3
SMILES
C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)
InChIKey
YDONNITUKPKTIG-UHFFFAOYSA-N
Compound name
[bis(phosphonomethyl)amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

17
References

52873
Patents

298.9725 Da
Monoisotopic Mass

-7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.97978 161.3
[M+Na]+ 321.96172 162.4
[M-H]- 297.96522 164.6
[M+NH4]+ 317.00632 159.7
[M+K]+ 337.93566 150.3
[M+H-H2O]+ 281.96976 133.9
[M+HCOO]- 343.97070 175.8
[M+CH3COO]- 357.98635 192.2
[M+Na-2H]- 319.94717 147.2
[M]+ 298.97195 154.0
[M]- 298.97305 154.0
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