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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 145.0
[M+Na]+ 217.09475 151.5
[M-H]- 193.09825 146.1
[M+NH4]+ 212.13935 168.3
[M+K]+ 233.06869 147.5
[M+H-H2O]+ 177.10279 138.7
[M+HCOO]- 239.10373 159.2
[M+CH3COO]- 253.11938 156.0
[M+Na-2H]- 215.08020 147.4
[M]+ 194.10498 136.3
[M]- 194.10608 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.