CID 19908217

52321-18-3

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

CN1CC2CCC1CN2

InChI

InChI=1S/C7H14N2/c1-9-5-6-2-3-7(9)4-8-6/h6-8H,2-5H2,1H3

InChIKey

GXIMUJOQZCMEFY-UHFFFAOYSA-N

Compound name

2-methyl-2,5-diazabicyclo[2.2.2]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 211
Patents: 126.1157 Da
Monoisotopic Mass: 0.2
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]+	127.122976	127.2
[M+Na]+	149.104918	132.0
[M-H]-	125.108424	120.1
[M+NH4]+	144.149523	150.7
[M+K]+	165.078858	129.8
[M+H-H2O]+	109.112960	122.0
[M+HCOO]-	171.113901	136.2
[M+CH3COO]-	185.129551	137.6
[M+Na-2H]-	147.090366	139.0
[M]+	126.11515142	125.1
[M]-	126.11624858	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe