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
2
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 184.4
[M+Na]+ 409.03012 185.5
[M-H]- 385.03362 190.0
[M+NH4]+ 404.07472 183.7
[M+K]+ 425.00406 174.5
[M+H-H2O]+ 369.03816 155.9
[M+HCOO]- 431.03910 192.8
[M+CH3COO]- 445.05475 212.8
[M+Na-2H]- 407.01557 168.0
[M]+ 386.04035 175.5
[M]- 386.04145 175.5
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.