CID 139537

1-methyl-4-methylenepiperidine

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CN1CCC(=C)CC1

InChI

InChI=1S/C7H13N/c1-7-3-5-8(2)6-4-7/h1,3-6H2,2H3

InChIKey

XOLRMKKIFJFIOV-UHFFFAOYSA-N

Compound name

1-methyl-4-methylidenepiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 280
Patents: 111.1048 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]+	112.11208	124.1
[M+Na]+	134.09402	136.0
[M+NH4]+	129.13862	133.5
[M+K]+	150.06796	129.2
[M-H]-	110.09752	126.1
[M+Na-2H]-	132.07947	130.0
[M]+	111.10425	126.3
[M]-	111.10535	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe