CID 68080074

1432681-53-2

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CN1CCC2C1CNCC2

InChI

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

InChIKey

DGKKRYRUSCGLGJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 140.13135 Da
Monoisotopic Mass: 0.4
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]+	141.13863	132.9
[M+Na]+	163.12057	138.5
[M-H]-	139.12407	132.2
[M+NH4]+	158.16517	153.8
[M+K]+	179.09451	136.1
[M+H-H2O]+	123.12861	126.1
[M+HCOO]-	185.12955	148.4
[M+CH3COO]-	199.14520	144.4
[M+Na-2H]-	161.10602	136.7
[M]+	140.13080	125.7
[M]-	140.13190	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe