CID 9908179

Dtxsid90861304

Structural Information

Molecular Formula
C7H21N2O10P3
SMILES
C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CCO)CP(=O)(O)O
InChI
InChI=1S/C7H21N2O10P3/c10-4-3-8(5-20(11,12)13)1-2-9(6-21(14,15)16)7-22(17,18)19/h10H,1-7H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)
InChIKey
PJVGYJPKENHVSK-UHFFFAOYSA-N
Compound name
[2-[bis(phosphonomethyl)amino]ethyl-(2-hydroxyethyl)amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.0409 Da
Monoisotopic Mass

-10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.04818 178.9
[M+Na]+ 409.03012 185.2
[M+NH4]+ 404.07472 182.8
[M+K]+ 425.00406 176.3
[M-H]- 385.03362 178.7
[M+Na-2H]- 407.01557 179.7
[M]+ 386.04035 182.1
[M]- 386.04145 182.1
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.