CID 351626

Methyl piperidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

COC(=O)C1CCCNC1

InChI

InChI=1S/C7H13NO2/c1-10-7(9)6-3-2-4-8-5-6/h6,8H,2-5H2,1H3

InChIKey

BCDBHIAXYFPJCT-UHFFFAOYSA-N

Compound name

methyl piperidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 579
Patents: 143.09464 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]+	144.10192	131.4
[M+Na]+	166.08386	141.0
[M+NH4]+	161.12846	139.1
[M+K]+	182.05780	136.2
[M-H]-	142.08736	131.5
[M+Na-2H]-	164.06931	135.5
[M]+	143.09409	132.4
[M]-	143.09519	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe