CID 11386054

Einecs 269-979-1

Structural Information

Molecular Formula
C8H25N3O12P4
SMILES
C(CN(CP(=O)(O)O)CP(=O)(O)O)NCCN(CP(=O)(O)O)CP(=O)(O)O
InChI
InChI=1S/C8H25N3O12P4/c12-24(13,14)5-10(6-25(15,16)17)3-1-9-2-4-11(7-26(18,19)20)8-27(21,22)23/h9H,1-8H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)
InChIKey
OZQJXKBMZMJMNK-UHFFFAOYSA-N
Compound name
[2-[2-[bis(phosphonomethyl)amino]ethylamino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

479.03888 Da
Monoisotopic Mass

-13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.04616 195.2
[M+Na]+ 502.02810 200.7
[M+NH4]+ 497.07270 190.4
[M+K]+ 518.00204 209.8
[M-H]- 478.03160 195.3
[M+Na-2H]- 500.01355 196.0
[M]+ 479.03833 198.9
[M]- 479.03943 198.9
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.