CID 102575

2-methyl-1,4-diazabicyclo[2.2.2]octane

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

CC1CN2CCN1CC2

InChI

InChI=1S/C7H14N2/c1-7-6-8-2-4-9(7)5-3-8/h7H,2-6H2,1H3

InChIKey

QXKMWFFBWDHDCB-UHFFFAOYSA-N

Compound name

2-methyl-1,4-diazabicyclo[2.2.2]octane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 334
Patents: 126.1157 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]+	127.12298	126.5
[M+Na]+	149.10492	131.6
[M-H]-	125.10842	120.7
[M+NH4]+	144.14952	150.6
[M+K]+	165.07886	130.3
[M+H-H2O]+	109.11296	120.8
[M+HCOO]-	171.11390	136.9
[M+CH3COO]-	185.12955	137.5
[M+Na-2H]-	147.09037	138.7
[M]+	126.11515	126.0
[M]-	126.11625	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe