CID 3053191

69567-19-7

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CC1=NC(=C(C=C1)C2CCCN2C)C

InChI

InChI=1S/C12H18N2/c1-9-6-7-11(10(2)13-9)12-5-4-8-14(12)3/h6-7,12H,4-5,8H2,1-3H3

InChIKey

OOMLXJAEGLHIEP-UHFFFAOYSA-N

Compound name

2,6-dimethyl-3-(1-methylpyrrolidin-2-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 190.147 Da
Monoisotopic Mass: 2.0
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]+	191.15428	143.8
[M+Na]+	213.13622	152.1
[M-H]-	189.13972	148.0
[M+NH4]+	208.18082	163.1
[M+K]+	229.11016	149.1
[M+H-H2O]+	173.14426	136.1
[M+HCOO]-	235.14520	164.2
[M+CH3COO]-	249.16085	185.4
[M+Na-2H]-	211.12167	146.2
[M]+	190.14645	142.3
[M]-	190.14755	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe