CID 12291

1-methylpiperidine

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CN1CCCCC1

InChI

InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3

InChIKey

PAMIQIKDUOTOBW-UHFFFAOYSA-N

Compound name

1-methylpiperidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 58
References: 91676
Patents: 99.1048 Da
Monoisotopic Mass: 1.3
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]+	100.11208	120.5
[M+Na]+	122.09402	126.0
[M-H]-	98.097524	122.0
[M+NH4]+	117.13862	142.2
[M+K]+	138.06796	125.7
[M+H-H2O]+	82.102060	114.6
[M+HCOO]-	144.10300	140.4
[M+CH3COO]-	158.11865	166.1
[M+Na-2H]-	120.07947	127.4
[M]+	99.104251	115.5
[M]-	99.105349	115.5

Literature stripe

literature stripe

Patent stripe

patents stripe