CID 51072294

Methyl 4-methylpiperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC1(CCNCC1)C(=O)OC

InChI

InChI=1S/C8H15NO2/c1-8(7(10)11-2)3-5-9-6-4-8/h9H,3-6H2,1-2H3

InChIKey

KMROKLMQVGAOMJ-UHFFFAOYSA-N

Compound name

methyl 4-methylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 296
Patents: 157.11028 Da
Monoisotopic Mass: 0.5
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]+	158.11756	136.2
[M+Na]+	180.09950	145.7
[M+NH4]+	175.14410	145.1
[M+K]+	196.07344	139.0
[M-H]-	156.10300	136.2
[M+Na-2H]-	178.08495	141.5
[M]+	157.10973	137.4
[M]-	157.11083	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe