CID 25378

10563-26-5

Structural Information

Molecular Formula
C8H22N4
SMILES
C(CN)CNCCNCCCN
InChI
InChI=1S/C8H22N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-10H2
InChIKey
RXFCIXRFAJRBSG-UHFFFAOYSA-N
Compound name
N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

12
References

16189
Patents

174.18445 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.191726 140.2
[M+Na]+ 197.173668 143.1
[M-H]- 173.177174 138.7
[M+NH4]+ 192.218273 158.6
[M+K]+ 213.147608 141.6
[M+H-H2O]+ 157.181710 133.3
[M+HCOO]- 219.182651 166.0
[M+CH3COO]- 233.198301 192.0
[M+Na-2H]- 195.159116 145.1
[M]+ 174.18390142 136.9
[M]- 174.18499858 136.9
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