CID 59170708

1369343-83-8

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CN1CCCC2C1CCN2

InChI

InChI=1S/C8H16N2/c1-10-6-2-3-7-8(10)4-5-9-7/h7-9H,2-6H2,1H3

InChIKey

UVIBURNTGPPPMV-UHFFFAOYSA-N

Compound name

4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 140.13135 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]+	141.138626	132.9
[M+Na]+	163.120568	138.5
[M-H]-	139.124074	132.2
[M+NH4]+	158.165173	153.8
[M+K]+	179.094508	136.1
[M+H-H2O]+	123.128610	126.1
[M+HCOO]-	185.129551	148.4
[M+CH3COO]-	199.145201	144.4
[M+Na-2H]-	161.106016	136.7
[M]+	140.13080142	125.7
[M]-	140.13189858	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe