CID 55289838

3-methylquinuclidin-3-amine

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CC1(CN2CCC1CC2)N

InChI

InChI=1S/C8H16N2/c1-8(9)6-10-4-2-7(8)3-5-10/h7H,2-6,9H2,1H3

InChIKey

PLFBGAXIQJPOEX-UHFFFAOYSA-N

Compound name

3-methyl-1-azabicyclo[2.2.2]octan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
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]+	141.13863	128.8
[M+Na]+	163.12057	138.4
[M+NH4]+	158.16517	141.5
[M+K]+	179.09451	129.7
[M-H]-	139.12407	127.7
[M+Na-2H]-	161.10602	128.9
[M]+	140.13080	129.8
[M]-	140.13190	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe