CID 172005

Einecs 267-804-3

Structural Information

Molecular Formula
C10H28N2O16P4
SMILES
C(CCCN(COP(=O)(O)O)COP(=O)(O)O)CCN(COP(=O)(O)O)COP(=O)(O)O
InChI
InChI=1S/C10H28N2O16P4/c13-29(14,15)25-7-11(8-26-30(16,17)18)5-3-1-2-4-6-12(9-27-31(19,20)21)10-28-32(22,23)24/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)
InChIKey
NKIXHMJOANMLAB-UHFFFAOYSA-N
Compound name
[6-[bis(phosphonooxymethyl)amino]hexyl-(phosphonooxymethyl)amino]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.03894 Da
Monoisotopic Mass

-9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.04622 203.1
[M+Na]+ 579.02816 208.8
[M+NH4]+ 574.07276 208.8
[M+K]+ 595.00210 218.1
[M-H]- 555.03166 203.9
[M+Na-2H]- 577.01361 204.0
[M]+ 556.03839 207.2
[M]- 556.03949 207.2
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.