CID 13815418

Ns00038355

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(C)N1CCC(=O)C(C1)C(=O)OC

InChI

InChI=1S/C10H17NO3/c1-7(2)11-5-4-9(12)8(6-11)10(13)14-3/h7-8H,4-6H2,1-3H3

InChIKey

WVQMIKMOIGXEBD-UHFFFAOYSA-N

Compound name

methyl 4-oxo-1-propan-2-ylpiperidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.12085 Da
Monoisotopic Mass: 0.6
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]+	200.128126	143.8
[M+Na]+	222.110068	149.7
[M-H]-	198.113574	145.6
[M+NH4]+	217.154673	161.8
[M+K]+	238.084008	149.5
[M+H-H2O]+	182.118110	137.6
[M+HCOO]-	244.119051	161.5
[M+CH3COO]-	258.134701	185.8
[M+Na-2H]-	220.095516	144.9
[M]+	199.12030142	142.8
[M]-	199.12139858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe