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

2
Annotation Hits: 15
References: 9085
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]+	100.11208	121.3
[M+Na]+	122.09402	132.3
[M+NH4]+	117.13862	130.7
[M+K]+	138.06796	126.0
[M-H]-	98.097524	122.9
[M+Na-2H]-	120.07947	127.0
[M]+	99.104251	123.1
[M]-	99.105349	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe