CID 469995

2-[2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]ethylamino]-2-(hydroxymethyl)propane-1,3-diol

Structural Information

Molecular Formula
C10H24N2O6
SMILES
C(CNC(CO)(CO)CO)NC(CO)(CO)CO
InChI
InChI=1S/C10H24N2O6/c13-3-9(4-14,5-15)11-1-2-12-10(6-16,7-17)8-18/h11-18H,1-8H2
InChIKey
HTZWFBOQABLABU-UHFFFAOYSA-N
Compound name
2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethylamino]-2-(hydroxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.16342 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.170696 159.5
[M+Na]+ 291.152638 160.7
[M-H]- 267.156144 150.6
[M+NH4]+ 286.197243 170.7
[M+K]+ 307.126578 158.5
[M+H-H2O]+ 251.160680 154.2
[M+HCOO]- 313.161621 173.0
[M+CH3COO]- 327.177271 188.8
[M+Na-2H]- 289.138086 164.3
[M]+ 268.16287142 156.7
[M]- 268.16396858 156.7
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

No patent data available for this compound.