CID 69666

1-methyl-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CN1CCC=CC1

InChI

InChI=1S/C6H11N/c1-7-5-3-2-4-6-7/h2-3H,4-6H2,1H3

InChIKey

AUFIRGPROMANKW-UHFFFAOYSA-N

Compound name

1-methyl-3,6-dihydro-2H-pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 1549
Patents: 97.08915 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]+	98.096426	118.2
[M+Na]+	120.078368	124.8
[M-H]-	96.081874	120.1
[M+NH4]+	115.122973	140.1
[M+K]+	136.052308	124.3
[M+H-H2O]+	80.086410	112.4
[M+HCOO]-	142.087351	139.6
[M+CH3COO]-	156.103001	165.7
[M+Na-2H]-	118.063816	126.2
[M]+	97.08860142	114.7
[M]-	97.08969858	114.7

Literature stripe

literature stripe

Patent stripe

patents stripe