CID 78179

4439-20-7

Structural Information

Molecular Formula
C6H16N2O2
SMILES
C(CNCCO)NCCO
InChI
InChI=1S/C6H16N2O2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2
InChIKey
GFIWSSUBVYLTRF-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyethylamino)ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

3948
Patents

148.12119 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.128466 132.5
[M+Na]+ 171.110408 137.0
[M-H]- 147.113914 129.6
[M+NH4]+ 166.155013 151.7
[M+K]+ 187.084348 135.7
[M+H-H2O]+ 131.118450 127.0
[M+HCOO]- 193.119391 155.7
[M+CH3COO]- 207.135041 175.8
[M+Na-2H]- 169.095856 138.9
[M]+ 148.12064142 131.1
[M]- 148.12173858 131.1
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