CID 25648

13221-89-1

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

CN1CCC(=O)C(C1)C(=O)OC

InChI

InChI=1S/C8H13NO3/c1-9-4-3-7(10)6(5-9)8(11)12-2/h6H,3-5H2,1-2H3

InChIKey

BKCOINBLEJIZGR-UHFFFAOYSA-N

Compound name

methyl 1-methyl-4-oxopiperidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 150
Patents: 171.08954 Da
Monoisotopic Mass: -0.2
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]+	172.096816	134.9
[M+Na]+	194.078758	141.8
[M-H]-	170.082264	136.9
[M+NH4]+	189.123363	154.1
[M+K]+	210.052698	141.7
[M+H-H2O]+	154.086800	128.9
[M+HCOO]-	216.087741	154.2
[M+CH3COO]-	230.103391	178.9
[M+Na-2H]-	192.064206	138.2
[M]+	171.08899142	133.7
[M]-	171.09008858	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe