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

78
Patents

187.11095 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 141.9
[M+Na]+ 210.10017 149.8
[M-H]- 186.10367 142.7
[M+NH4]+ 205.14477 157.5
[M+K]+ 226.07411 144.1
[M+H-H2O]+ 170.10821 127.3
[M+HCOO]- 232.10915 155.7
[M+CH3COO]- 246.12480 151.5
[M+Na-2H]- 208.08562 148.6
[M]+ 187.11040 130.6
[M]- 187.11150 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