CID 53363271

4-(pyridin-2-yl)piperidine-4-carbonitrile

Structural Information

Molecular Formula
C11H13N3
SMILES
C1CNCCC1(C#N)C2=CC=CC=N2
InChI
InChI=1S/C11H13N3/c12-9-11(4-7-13-8-5-11)10-3-1-2-6-14-10/h1-3,6,13H,4-5,7-8H2
InChIKey
VXQVGWZSCZUOKK-UHFFFAOYSA-N
Compound name
4-pyridin-2-ylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

187.11095 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.118226 141.9
[M+Na]+ 210.100168 149.8
[M-H]- 186.103674 142.7
[M+NH4]+ 205.144773 157.5
[M+K]+ 226.074108 144.1
[M+H-H2O]+ 170.108210 127.3
[M+HCOO]- 232.109151 155.7
[M+CH3COO]- 246.124801 151.5
[M+Na-2H]- 208.085616 148.6
[M]+ 187.11040142 130.6
[M]- 187.11149858 130.6
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

patents stripe