CID 138017819

2241140-44-1

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C1CCC23CNCC2(C1)C(=O)NC3=O

InChI

InChI=1S/C10H14N2O2/c13-7-9-3-1-2-4-10(9,6-11-5-9)8(14)12-7/h11H,1-6H2,(H,12,13,14)

InChIKey

UASSYCJJPPEFTB-UHFFFAOYSA-N

Compound name

8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.10553 Da
Monoisotopic Mass: -0.4
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]+	195.112806	145.0
[M+Na]+	217.094748	151.5
[M-H]-	193.098254	146.1
[M+NH4]+	212.139353	168.3
[M+K]+	233.068688	147.5
[M+H-H2O]+	177.102790	138.7
[M+HCOO]-	239.103731	159.2
[M+CH3COO]-	253.119381	156.0
[M+Na-2H]-	215.080196	147.4
[M]+	194.10498142	136.3
[M]-	194.10607858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.