CID 79081

3-methylpiperidine

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CC1CCCNC1

InChI

InChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3

InChIKey

JEGMWWXJUXDNJN-UHFFFAOYSA-N

Compound name

3-methylpiperidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 15
References: 11666
Patents: 99.1048 Da
Monoisotopic Mass: 1.1
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]+	100.112076	121.4
[M+Na]+	122.094018	126.5
[M-H]-	98.097524	121.5
[M+NH4]+	117.138623	142.4
[M+K]+	138.067958	125.3
[M+H-H2O]+	82.102060	115.8
[M+HCOO]-	144.103001	139.8
[M+CH3COO]-	158.118651	163.3
[M+Na-2H]-	120.079466	127.8
[M]+	99.10425142	114.5
[M]-	99.10534858	114.5

Literature stripe

literature stripe

Patent stripe

patents stripe