CID 4464462

3-({6-[(2-cyanoethyl)amino]hexyl}amino)propanenitrile

Structural Information

Molecular Formula
C12H22N4
SMILES
C(CCCNCCC#N)CCNCCC#N
InChI
InChI=1S/C12H22N4/c13-7-5-11-15-9-3-1-2-4-10-16-12-6-8-14/h15-16H,1-6,9-12H2
InChIKey
ABYBSKYSXDSVJG-UHFFFAOYSA-N
Compound name
3-[6-(2-cyanoethylamino)hexylamino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

222.18445 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.19173 155.7
[M+Na]+ 245.17367 161.5
[M-H]- 221.17717 156.9
[M+NH4]+ 240.21827 167.3
[M+K]+ 261.14761 160.3
[M+H-H2O]+ 205.18171 140.3
[M+HCOO]- 267.18265 168.7
[M+CH3COO]- 281.19830 224.7
[M+Na-2H]- 243.15912 158.0
[M]+ 222.18390 148.9
[M]- 222.18500 148.9
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