CID 117521492

2-(3-methoxyphenyl)piperidine-2-carbonitrile

Structural Information

Molecular Formula
C13H16N2O
SMILES
COC1=CC=CC(=C1)C2(CCCCN2)C#N
InChI
InChI=1S/C13H16N2O/c1-16-12-6-4-5-11(9-12)13(10-14)7-2-3-8-15-13/h4-6,9,15H,2-3,7-8H2,1H3
InChIKey
KPJSTLUVHZDEEO-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)piperidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 150.0
[M+Na]+ 239.11549 158.3
[M-H]- 215.11899 152.6
[M+NH4]+ 234.16009 166.2
[M+K]+ 255.08943 152.5
[M+H-H2O]+ 199.12353 136.4
[M+HCOO]- 261.12447 164.8
[M+CH3COO]- 275.14012 195.9
[M+Na-2H]- 237.10094 155.1
[M]+ 216.12572 140.6
[M]- 216.12682 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

No patent data available for this compound.