CID 18187989

364056-14-4

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

C1CN(CCC1=O)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H17NO3/c16-13-6-8-15(9-7-13)10-14(17)18-11-12-4-2-1-3-5-12/h1-5H,6-11H2

InChIKey

NZJNMGYKSKNROE-UHFFFAOYSA-N

Compound name

benzyl 2-(4-oxopiperidin-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 247.12085 Da
Monoisotopic Mass: 1.1
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	156.2
[M+Na]+	270.110068	160.8
[M-H]-	246.113574	160.4
[M+NH4]+	265.154673	171.4
[M+K]+	286.084008	158.3
[M+H-H2O]+	230.118110	147.7
[M+HCOO]-	292.119051	174.9
[M+CH3COO]-	306.134701	191.5
[M+Na-2H]-	268.095516	159.4
[M]+	247.12030142	154.0
[M]-	247.12139858	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe