CID 2987569

N-benzylpiperidine-1-carboxamide

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CCN(CC1)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O/c16-13(15-9-5-2-6-10-15)14-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,14,16)
InChIKey
XOFPKHCEEHDMMC-UHFFFAOYSA-N
Compound name
N-benzylpiperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

42
Patents

218.1419 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 150.7
[M+Na]+ 241.13112 153.8
[M-H]- 217.13462 154.6
[M+NH4]+ 236.17572 166.7
[M+K]+ 257.10506 151.0
[M+H-H2O]+ 201.13916 142.2
[M+HCOO]- 263.14010 170.2
[M+CH3COO]- 277.15575 188.2
[M+Na-2H]- 239.11657 155.5
[M]+ 218.14135 144.8
[M]- 218.14245 144.8
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