CID 55289838

21638-13-1

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: 40
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]+	141.138626	131.4
[M+Na]+	163.120568	136.4
[M-H]-	139.124074	126.6
[M+NH4]+	158.165173	157.7
[M+K]+	179.094508	134.4
[M+H-H2O]+	123.128610	126.4
[M+HCOO]-	185.129551	143.0
[M+CH3COO]-	199.145201	142.3
[M+Na-2H]-	161.106016	143.3
[M]+	140.13080142	129.4
[M]-	140.13189858	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe