CID 398407

1,4-diazabicyclo[3.2.2]nonane

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

C1CN2CCC1NCC2

InChI

InChI=1S/C7H14N2/c1-4-9-5-2-7(1)8-3-6-9/h7-8H,1-6H2

InChIKey

XJKNACDCUAFDHD-UHFFFAOYSA-N

Compound name

1,4-diazabicyclo[3.2.2]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1121
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	132.6
[M+Na]+	149.104918	140.2
[M-H]-	125.108424	130.9
[M+NH4]+	144.149523	153.1
[M+K]+	165.078858	137.0
[M+H-H2O]+	109.112960	131.5
[M+HCOO]-	171.113901	142.3
[M+CH3COO]-	185.129551	142.5
[M+Na-2H]-	147.090366	144.0
[M]+	126.11515142	128.8
[M]-	126.11624858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe