CID 181138

4-phenylpiperidine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula
C12H14N2
SMILES
C1CNCCC1(C#N)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5,14H,6-9H2
InChIKey
DMCVVFIWYIKAEJ-UHFFFAOYSA-N
Compound name
4-phenylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1271
Patents

186.11569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.122966 144.0
[M+Na]+ 209.104908 152.0
[M-H]- 185.108414 146.3
[M+NH4]+ 204.149513 161.1
[M+K]+ 225.078848 145.6
[M+H-H2O]+ 169.112950 130.5
[M+HCOO]- 231.113891 158.9
[M+CH3COO]- 245.129541 154.0
[M+Na-2H]- 207.090356 150.1
[M]+ 186.11514142 132.6
[M]- 186.11623858 132.6
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