CID 66846272

1909288-61-4

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CN1CC[C@@H]2CNC[C@@H]2C1

InChI

InChI=1S/C8H16N2/c1-10-3-2-7-4-9-5-8(7)6-10/h7-9H,2-6H2,1H3/t7-,8-/m1/s1

InChIKey

BNLKJYVQFIOOTE-HTQZYQBOSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 140.13135 Da
Monoisotopic Mass: 0.3
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