CID 3019308

83783-71-5

Structural Information

Molecular Formula
C15H21N3
SMILES
C1CN(CCC1NCCC#N)CC2=CC=CC=C2
InChI
InChI=1S/C15H21N3/c16-9-4-10-17-15-7-11-18(12-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-8,10-13H2
InChIKey
VVCSAMZZQCPYFB-UHFFFAOYSA-N
Compound name
3-[(1-benzylpiperidin-4-yl)amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.17355 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.180826 156.7
[M+Na]+ 266.162768 162.5
[M-H]- 242.166274 159.3
[M+NH4]+ 261.207373 170.2
[M+K]+ 282.136708 156.9
[M+H-H2O]+ 226.170810 141.6
[M+HCOO]- 288.171751 172.7
[M+CH3COO]- 302.187401 206.6
[M+Na-2H]- 264.148216 160.6
[M]+ 243.17300142 147.2
[M]- 243.17409858 147.2
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.