CID 1540933

3-(4-benzylpiperidin-1-yl)-3-oxopropanenitrile

Structural Information

Molecular Formula
C15H18N2O
SMILES
C1CN(CCC1CC2=CC=CC=C2)C(=O)CC#N
InChI
InChI=1S/C15H18N2O/c16-9-6-15(18)17-10-7-14(8-11-17)12-13-4-2-1-3-5-13/h1-5,14H,6-8,10-12H2
InChIKey
ZCRMYTZFCMQXHR-UHFFFAOYSA-N
Compound name
3-(4-benzylpiperidin-1-yl)-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 156.9
[M+Na]+ 265.13112 163.6
[M-H]- 241.13462 159.9
[M+NH4]+ 260.17572 170.7
[M+K]+ 281.10506 158.3
[M+H-H2O]+ 225.13916 142.2
[M+HCOO]- 287.14010 171.6
[M+CH3COO]- 301.15575 203.4
[M+Na-2H]- 263.11657 159.3
[M]+ 242.14135 148.1
[M]- 242.14245 148.1
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

No patent data available for this compound.