CID 207956

31252-58-1

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C13H18N2O/c14-13(16)15-8-6-12(7-9-15)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,14,16)

InChIKey

ABPLJBPWZQTCLB-UHFFFAOYSA-N

Compound name

4-benzylpiperidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 218.1419 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.14918	151.1
[M+Na]+	241.13112	155.2
[M-H]-	217.13462	154.9
[M+NH4]+	236.17572	167.2
[M+K]+	257.10506	152.0
[M+H-H2O]+	201.13916	142.9
[M+HCOO]-	263.14010	170.1
[M+CH3COO]-	277.15575	189.4
[M+Na-2H]-	239.11657	154.2
[M]+	218.14135	144.8
[M]-	218.14245	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe