CID 2794599

3-((1-benzylpiperidin-4-yl)oxy)propanenitrile

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

53
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 155.1
[M+Na]+ 267.14678 161.7
[M-H]- 243.15028 157.9
[M+NH4]+ 262.19138 168.9
[M+K]+ 283.12072 156.5
[M+H-H2O]+ 227.15482 140.2
[M+HCOO]- 289.15576 170.5
[M+CH3COO]- 303.17141 204.0
[M+Na-2H]- 265.13223 158.8
[M]+ 244.15701 147.6
[M]- 244.15811 147.6
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