CID 10973740

N-(3-hydroxypropyl)ethylenediamine

Structural Information

Molecular Formula
C5H14N2O
SMILES
C(CNCCN)CO
InChI
InChI=1S/C5H14N2O/c6-2-4-7-3-1-5-8/h7-8H,1-6H2
InChIKey
KTLIZDDPOZZHCD-UHFFFAOYSA-N
Compound name
3-(2-aminoethylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1155
Patents

118.11061 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.11789 124.3
[M+Na]+ 141.09983 132.1
[M+NH4]+ 136.14443 131.7
[M+K]+ 157.07377 127.3
[M-H]- 117.10333 124.2
[M+Na-2H]- 139.08528 127.5
[M]+ 118.11006 124.9
[M]- 118.11116 124.9
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