CID 78211

N-(2-hydroxyethyl)-1,3-propanediamine

Structural Information

Molecular Formula
C5H14N2O
SMILES
C(CN)CNCCO
InChI
InChI=1S/C5H14N2O/c6-2-1-3-7-4-5-8/h7-8H,1-6H2
InChIKey
GHKSKVKCKMGRDU-UHFFFAOYSA-N
Compound name
2-(3-aminopropylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

4200
Patents

118.11061 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.117886 125.5
[M+Na]+ 141.099828 130.9
[M-H]- 117.103334 123.7
[M+NH4]+ 136.144433 146.4
[M+K]+ 157.073768 130.0
[M+H-H2O]+ 101.107870 120.3
[M+HCOO]- 163.108811 149.6
[M+CH3COO]- 177.124461 172.5
[M+Na-2H]- 139.085276 131.8
[M]+ 118.11006142 123.2
[M]- 118.11115858 123.2
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