CID 232666

Methyl piperidine-1-carboxylate

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

COC(=O)N1CCCCC1

InChI

InChI=1S/C7H13NO2/c1-10-7(9)8-5-3-2-4-6-8/h2-6H2,1H3

InChIKey

YKFLJYAKACCWMH-UHFFFAOYSA-N

Compound name

methyl piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1222
Patents: 143.09464 Da
Monoisotopic Mass: 1.0
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	130.6
[M+Na]+	166.08386	135.9
[M-H]-	142.08736	132.1
[M+NH4]+	161.12846	150.5
[M+K]+	182.05780	136.1
[M+H-H2O]+	126.09190	124.3
[M+HCOO]-	188.09284	149.9
[M+CH3COO]-	202.10849	171.7
[M+Na-2H]-	164.06931	135.7
[M]+	143.09409	127.4
[M]-	143.09519	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe