CID 165604792

4-(4-chloro-2-methoxyphenyl)piperidine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula
C13H15ClN2O
SMILES
COC1=C(C=CC(=C1)Cl)C2(CCNCC2)C#N
InChI
InChI=1S/C13H15ClN2O/c1-17-12-8-10(14)2-3-11(12)13(9-15)4-6-16-7-5-13/h2-3,8,16H,4-7H2,1H3
InChIKey
PYPHIKDWXCSADB-UHFFFAOYSA-N
Compound name
4-(4-chloro-2-methoxyphenyl)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0873 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09458 155.1
[M+Na]+ 273.07652 165.1
[M-H]- 249.08002 157.8
[M+NH4]+ 268.12112 171.2
[M+K]+ 289.05046 157.6
[M+H-H2O]+ 233.08456 142.4
[M+HCOO]- 295.08550 165.9
[M+CH3COO]- 309.10115 200.2
[M+Na-2H]- 271.06197 159.2
[M]+ 250.08675 147.9
[M]- 250.08785 147.9
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

No patent data available for this compound.