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
1
Annotation Hits

0
References

1199
Patents

186.11569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 144.0
[M+Na]+ 209.10491 152.0
[M-H]- 185.10841 146.3
[M+NH4]+ 204.14951 161.1
[M+K]+ 225.07885 145.6
[M+H-H2O]+ 169.11295 130.5
[M+HCOO]- 231.11389 158.9
[M+CH3COO]- 245.12954 154.0
[M+Na-2H]- 207.09036 150.1
[M]+ 186.11514 132.6
[M]- 186.11624 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