CID 106155

67923-76-6

Structural Information

Molecular Formula
C5H16N2O13P4
SMILES
C(N(CP(=O)(O)O)C(=O)N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C5H16N2O13P4/c8-5(6(1-21(9,10)11)2-22(12,13)14)7(3-23(15,16)17)4-24(18,19)20/h1-4H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)
InChIKey
QVOBKEISBGYEOZ-UHFFFAOYSA-N
Compound name
[bis(phosphonomethyl)carbamoyl-(phosphonomethyl)amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.9603 Da
Monoisotopic Mass

-7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.96758 179.6
[M+Na]+ 458.94952 186.6
[M+NH4]+ 453.99412 179.8
[M+K]+ 474.92346 196.8
[M-H]- 434.95302 180.6
[M+Na-2H]- 456.93497 182.5
[M]+ 435.95975 184.2
[M]- 435.96085 184.2
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.