CID 90209

23605-74-5

Structural Information

Molecular Formula
C10H28N2O12P4
SMILES
C(CCCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O
InChI
InChI=1S/C10H28N2O12P4/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)
InChIKey
KIDJHPQACZGFTI-UHFFFAOYSA-N
Compound name
[6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1917
Patents

492.05927 Da
Monoisotopic Mass

-9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.06655 196.5
[M+Na]+ 515.04849 202.1
[M+NH4]+ 510.09309 196.4
[M+K]+ 531.02243 211.4
[M-H]- 491.05199 196.5
[M+Na-2H]- 513.03394 197.3
[M]+ 492.05872 200.2
[M]- 492.05982 200.2
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