CID 55283731

(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

CN1CCC(=CC1)CN

InChI

InChI=1S/C7H14N2/c1-9-4-2-7(6-8)3-5-9/h2H,3-6,8H2,1H3

InChIKey

XUELPHBYTUIHJB-UHFFFAOYSA-N

Compound name

(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 126.1157 Da
Monoisotopic Mass: -0.6
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]+	127.12298	127.3
[M+Na]+	149.10492	133.6
[M-H]-	125.10842	128.7
[M+NH4]+	144.14952	147.8
[M+K]+	165.07886	132.2
[M+H-H2O]+	109.11296	121.0
[M+HCOO]-	171.11390	148.7
[M+CH3COO]-	185.12955	173.8
[M+Na-2H]-	147.09037	133.2
[M]+	126.11515	122.7
[M]-	126.11625	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe