CID 12958751

Methyl 1-methyl-4-oxopiperidine-2-carboxylate

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

CN1CCC(=O)CC1C(=O)OC

InChI

InChI=1S/C8H13NO3/c1-9-4-3-6(10)5-7(9)8(11)12-2/h7H,3-5H2,1-2H3

InChIKey

SGYBQJCTUIQSPS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 171.08954 Da
Monoisotopic Mass: -0.3
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]+	172.09682	136.6
[M+Na]+	194.07876	146.9
[M+NH4]+	189.12336	143.6
[M+K]+	210.05270	142.4
[M-H]-	170.08226	136.5
[M+Na-2H]-	192.06421	140.0
[M]+	171.08899	137.6
[M]-	171.09009	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe