CID 5119

3-(1-propylpiperidin-3-yl)benzonitrile

Structural Information

Molecular Formula
C15H20N2
SMILES
CCCN1CCCC(C1)C2=CC=CC(=C2)C#N
InChI
InChI=1S/C15H20N2/c1-2-8-17-9-4-7-15(12-17)14-6-3-5-13(10-14)11-16/h3,5-6,10,15H,2,4,7-9,12H2,1H3
InChIKey
GQRIAOUUYRIMLH-UHFFFAOYSA-N
Compound name
3-(1-propylpiperidin-3-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

9
Patents

228.16264 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16992 152.7
[M+Na]+ 251.15186 160.3
[M-H]- 227.15536 156.0
[M+NH4]+ 246.19646 167.5
[M+K]+ 267.12580 154.7
[M+H-H2O]+ 211.15990 138.3
[M+HCOO]- 273.16084 167.9
[M+CH3COO]- 287.17649 203.2
[M+Na-2H]- 249.13731 155.8
[M]+ 228.16209 144.3
[M]- 228.16319 144.3
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