CID 2794599

175203-64-2

Structural Information

Molecular Formula
C15H20N2O
SMILES
C1CN(CCC1OCCC#N)CC2=CC=CC=C2
InChI
InChI=1S/C15H20N2O/c16-9-4-12-18-15-7-10-17(11-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-8,10-13H2
InChIKey
XTUAIKRVIJDPCZ-UHFFFAOYSA-N
Compound name
3-(1-benzylpiperidin-4-yl)oxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

244.15756 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 161.7
[M+Na]+ 267.14678 173.5
[M+NH4]+ 262.19138 166.6
[M+K]+ 283.12072 162.3
[M-H]- 243.15028 158.0
[M+Na-2H]- 265.13223 166.0
[M]+ 244.15701 161.5
[M]- 244.15811 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe