CID 46941997

Benzyl 2-methyl-4-oxopiperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

CC1CC(=O)CCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H17NO3/c1-11-9-13(16)7-8-15(11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3

InChIKey

NKUKIRSAMUEXPP-UHFFFAOYSA-N

Compound name

benzyl 2-methyl-4-oxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 247.12085 Da
Monoisotopic Mass: 1.5
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]+	248.128126	156.0
[M+Na]+	270.110068	161.7
[M-H]-	246.113574	160.7
[M+NH4]+	265.154673	171.7
[M+K]+	286.084008	159.3
[M+H-H2O]+	230.118110	147.9
[M+HCOO]-	292.119051	174.9
[M+CH3COO]-	306.134701	192.0
[M+Na-2H]-	268.095516	158.6
[M]+	247.12030142	154.2
[M]-	247.12139858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe