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]+ 269.17070 159.5
[M+Na]+ 291.15264 160.7
[M-H]- 267.15614 150.6
[M+NH4]+ 286.19724 170.7
[M+K]+ 307.12658 158.5
[M+H-H2O]+ 251.16068 154.2
[M+HCOO]- 313.16162 173.0
[M+CH3COO]- 327.17727 188.8
[M+Na-2H]- 289.13809 164.3
[M]+ 268.16287 156.7
[M]- 268.16397 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.