CID 28367942

4-[(4-methylpiperidin-1-yl)methyl]benzonitrile

Structural Information

Molecular Formula
C14H18N2
SMILES
CC1CCN(CC1)CC2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H18N2/c1-12-6-8-16(9-7-12)11-14-4-2-13(10-15)3-5-14/h2-5,12H,6-9,11H2,1H3
InChIKey
CSHDBZOBKRBPGW-UHFFFAOYSA-N
Compound name
4-[(4-methylpiperidin-1-yl)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

214.147 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15428 153.6
[M+Na]+ 237.13622 166.3
[M+NH4]+ 232.18082 159.2
[M+K]+ 253.11016 155.2
[M-H]- 213.13972 150.5
[M+Na-2H]- 235.12167 158.5
[M]+ 214.14645 153.8
[M]- 214.14755 153.8
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