CID 98535

N,n-bis(2-hydroxyethyl)ethylenediamine

Structural Information

Molecular Formula
C6H16N2O2
SMILES
C(CN(CCO)CCO)N
InChI
InChI=1S/C6H16N2O2/c7-1-2-8(3-5-9)4-6-10/h9-10H,1-7H2
InChIKey
CYOIAXUAIXVWMU-UHFFFAOYSA-N
Compound name
2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3390
Patents

148.12119 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.12847 133.7
[M+Na]+ 171.11041 138.4
[M-H]- 147.11391 131.8
[M+NH4]+ 166.15501 153.3
[M+K]+ 187.08435 138.2
[M+H-H2O]+ 131.11845 128.1
[M+HCOO]- 193.11939 156.8
[M+CH3COO]- 207.13504 178.5
[M+Na-2H]- 169.09586 138.2
[M]+ 148.12064 132.5
[M]- 148.12174 132.5
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