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

16061
Patents

174.18445 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.19173 140.2
[M+Na]+ 197.17367 143.1
[M-H]- 173.17717 138.7
[M+NH4]+ 192.21827 158.6
[M+K]+ 213.14761 141.6
[M+H-H2O]+ 157.18171 133.3
[M+HCOO]- 219.18265 166.0
[M+CH3COO]- 233.19830 192.0
[M+Na-2H]- 195.15912 145.1
[M]+ 174.18390 136.9
[M]- 174.18500 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.