CID 24208857

2-(3-piperidinyloxy)benzonitrile

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CC(CNC1)OC2=CC=CC=C2C#N
InChI
InChI=1S/C12H14N2O/c13-8-10-4-1-2-6-12(10)15-11-5-3-7-14-9-11/h1-2,4,6,11,14H,3,5,7,9H2
InChIKey
IRNZLBNNIBEIFM-UHFFFAOYSA-N
Compound name
2-piperidin-3-yloxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

202.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 150.1
[M+Na]+ 225.09983 161.9
[M+NH4]+ 220.14443 155.1
[M+K]+ 241.07377 151.7
[M-H]- 201.10333 146.0
[M+Na-2H]- 223.08528 154.6
[M]+ 202.11006 149.7
[M]- 202.11116 149.7
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