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
1
Annotation Hits

5
References

4167
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 125.5
[M+Na]+ 141.09983 130.9
[M-H]- 117.10333 123.7
[M+NH4]+ 136.14443 146.4
[M+K]+ 157.07377 130.0
[M+H-H2O]+ 101.10787 120.3
[M+HCOO]- 163.10881 149.6
[M+CH3COO]- 177.12446 172.5
[M+Na-2H]- 139.08528 131.8
[M]+ 118.11006 123.2
[M]- 118.11116 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.