CID 62513

1-methyl-4-phenylpiperidine-4-carbonitrile

Structural Information

Molecular Formula
C13H16N2
SMILES
CN1CCC(CC1)(C#N)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2/c1-15-9-7-13(11-14,8-10-15)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKey
ZLFQTZYFXYOGLS-UHFFFAOYSA-N
Compound name
1-methyl-4-phenylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

260
Patents

200.13135 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 145.9
[M+Na]+ 223.120568 154.7
[M-H]- 199.124074 149.7
[M+NH4]+ 218.165173 163.4
[M+K]+ 239.094508 149.0
[M+H-H2O]+ 183.128610 132.1
[M+HCOO]- 245.129551 161.9
[M+CH3COO]- 259.145201 156.5
[M+Na-2H]- 221.106016 151.4
[M]+ 200.13080142 136.9
[M]- 200.13189858 136.9
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