CID 92845000

2230912-48-6

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CN1CC[C@H]2[C@@H]1CCCN2

InChI

InChI=1S/C8H16N2/c1-10-6-4-7-8(10)3-2-5-9-7/h7-9H,2-6H2,1H3/t7-,8-/m0/s1

InChIKey

GESUDRQFGPKYSI-YUMQZZPRSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	141.13863	132.3
[M+Na]+	163.12057	142.2
[M+NH4]+	158.16517	141.5
[M+K]+	179.09451	137.7
[M-H]-	139.12407	133.1
[M+Na-2H]-	161.10602	135.5
[M]+	140.13080	133.6
[M]-	140.13190	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe