CID 18328685

4-benzylpiperidine-1-carbonyl chloride

Structural Information

Molecular Formula

C₁₃H₁₆ClNO

SMILES

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

InChI

InChI=1S/C13H16ClNO/c14-13(16)15-8-6-12(7-9-15)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2

InChIKey

LDNVHKQYAWVPKB-UHFFFAOYSA-N

Compound name

4-benzylpiperidine-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 237.09204 Da
Monoisotopic Mass: 3.5
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]+	238.09932	152.9
[M+Na]+	260.08126	166.6
[M+NH4]+	255.12586	162.1
[M+K]+	276.05520	158.4
[M-H]-	236.08476	156.8
[M+Na-2H]-	258.06671	160.7
[M]+	237.09149	156.2
[M]-	237.09259	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe