CID 3793220

3-(piperidin-4-ylmethyl)pyridine

Structural Information

Molecular Formula
C11H16N2
SMILES
C1CNCCC1CC2=CN=CC=C2
InChI
InChI=1S/C11H16N2/c1-2-11(9-13-5-1)8-10-3-6-12-7-4-10/h1-2,5,9-10,12H,3-4,6-8H2
InChIKey
KKZYSWQNXOXYBD-UHFFFAOYSA-N
Compound name
3-(piperidin-4-ylmethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

176.13135 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 140.4
[M+Na]+ 199.120568 144.8
[M-H]- 175.124074 141.7
[M+NH4]+ 194.165173 156.5
[M+K]+ 215.094508 141.0
[M+H-H2O]+ 159.128610 131.9
[M+HCOO]- 221.129551 157.3
[M+CH3COO]- 235.145201 151.1
[M+Na-2H]- 197.106016 146.7
[M]+ 176.13080142 133.2
[M]- 176.13189858 133.2
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

patents stripe