CID 78350

4605-14-5

Structural Information

Molecular Formula
C9H24N4
SMILES
C(CN)CNCCCNCCCN
InChI
InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2
InChIKey
ZAXCZCOUDLENMH-UHFFFAOYSA-N
Compound name
N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

26
References

10027
Patents

188.2001 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.20738 144.5
[M+Na]+ 211.18932 146.9
[M-H]- 187.19282 142.8
[M+NH4]+ 206.23392 162.3
[M+K]+ 227.16326 145.2
[M+H-H2O]+ 171.19736 137.4
[M+HCOO]- 233.19830 169.9
[M+CH3COO]- 247.21395 195.0
[M+Na-2H]- 209.17477 148.9
[M]+ 188.19955 141.6
[M]- 188.20065 141.6
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