CID 26091

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

Structural Information

Molecular Formula
C5H15N3
SMILES
C(CN)CNCCN
InChI
InChI=1S/C5H15N3/c6-2-1-4-8-5-3-7/h8H,1-7H2
InChIKey
DTSDBGVDESRKKD-UHFFFAOYSA-N
Compound name
N'-(2-aminoethyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

8404
Patents

117.126595 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.13387 125.2
[M+Na]+ 140.11581 130.3
[M-H]- 116.11932 124.4
[M+NH4]+ 135.16042 146.3
[M+K]+ 156.08975 129.5
[M+H-H2O]+ 100.12386 119.5
[M+HCOO]- 162.12480 151.0
[M+CH3COO]- 176.14045 177.5
[M+Na-2H]- 138.10126 131.3
[M]+ 117.12605 121.6
[M]- 117.12714 121.6
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