CID 2776270

10314-99-5

Structural Information

Molecular Formula

C₁₄H₁₆ClNO₃

SMILES

C1CN(CCC1C(=O)Cl)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H16ClNO3/c15-13(17)12-6-8-16(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2

InChIKey

KUBUQFFBRSHOMJ-UHFFFAOYSA-N

Compound name

benzyl 4-carbonochloridoylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 355
Patents: 281.08188 Da
Monoisotopic Mass: 2.6
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]+	282.08916	161.8
[M+Na]+	304.07110	167.0
[M-H]-	280.07460	166.0
[M+NH4]+	299.11570	176.5
[M+K]+	320.04504	163.3
[M+H-H2O]+	264.07914	154.2
[M+HCOO]-	326.08008	175.0
[M+CH3COO]-	340.09573	195.4
[M+Na-2H]-	302.05655	163.4
[M]+	281.08133	161.1
[M]-	281.08243	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe