CID 59202076

1822567-54-3

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1CNC2CC1NC2=O

InChI

InChI=1S/C6H10N2O/c9-6-5-3-4(8-6)1-2-7-5/h4-5,7H,1-3H2,(H,8,9)

InChIKey

HKYILJYPUXYXKL-UHFFFAOYSA-N

Compound name

2,6-diazabicyclo[3.2.1]octan-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 126.079315 Da
Monoisotopic Mass: -0.5
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]+	127.08659	126.1
[M+Na]+	149.06853	132.8
[M-H]-	125.07204	123.1
[M+NH4]+	144.11314	147.5
[M+K]+	165.04247	129.8
[M+H-H2O]+	109.07658	120.4
[M+HCOO]-	171.07752	141.0
[M+CH3COO]-	185.09317	137.8
[M+Na-2H]-	147.05398	131.6
[M]+	126.07877	119.1
[M]-	126.07986	119.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe