CID 135458572

N-methyl-3,4,5,6-tetrahydropyridin-2-amine hydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CN=C1CCCCN1

InChI

InChI=1S/C6H12N2/c1-7-6-4-2-3-5-8-6/h2-5H2,1H3,(H,7,8)

InChIKey

COYBWDBKVQRBJX-UHFFFAOYSA-N

Compound name

N-methylpiperidin-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
Patents: 112.10005 Da
Monoisotopic Mass: 0.1
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]+	113.107326	123.4
[M+Na]+	135.089268	128.4
[M-H]-	111.092774	124.8
[M+NH4]+	130.133873	144.2
[M+K]+	151.063208	127.4
[M+H-H2O]+	95.097310	117.1
[M+HCOO]-	157.098251	144.5
[M+CH3COO]-	171.113901	169.2
[M+Na-2H]-	133.074716	130.5
[M]+	112.09950142	116.9
[M]-	112.10059858	116.9

Literature stripe

literature stripe

Patent stripe

patents stripe