CID 49760803

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

Structural Information

Molecular Formula
C13H16N2O
SMILES
COC1=CC=C(C=C1)C2(CCNCC2)C#N
InChI
InChI=1S/C13H16N2O/c1-16-12-4-2-11(3-5-12)13(10-14)6-8-15-9-7-13/h2-5,15H,6-9H2,1H3
InChIKey
OLXFRSXYVNMKNL-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

216.12627 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 150.0
[M+Na]+ 239.115488 158.3
[M-H]- 215.118994 152.6
[M+NH4]+ 234.160093 166.2
[M+K]+ 255.089428 152.5
[M+H-H2O]+ 199.123530 136.4
[M+HCOO]- 261.124471 164.8
[M+CH3COO]- 275.140121 195.9
[M+Na-2H]- 237.100936 155.1
[M]+ 216.12572142 140.6
[M]- 216.12681858 140.6
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