CID 12700151

34975-14-9

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CC1=CCN(CC1)CCN

InChI

InChI=1S/C8H16N2/c1-8-2-5-10(6-3-8)7-4-9/h2H,3-7,9H2,1H3

InChIKey

OURDMWNUZXZQSJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 140.13135 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]+	141.138626	131.8
[M+Na]+	163.120568	137.7
[M-H]-	139.124074	133.1
[M+NH4]+	158.165173	151.8
[M+K]+	179.094508	136.1
[M+H-H2O]+	123.128610	125.4
[M+HCOO]-	185.129551	152.9
[M+CH3COO]-	199.145201	176.9
[M+Na-2H]-	161.106016	137.2
[M]+	140.13080142	127.6
[M]-	140.13189858	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe