CID 16077

1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione

Structural Information

Molecular Formula
C10H15NO2
SMILES
CC1(C2CCC1(C(=O)NC2=O)C)C
InChI
InChI=1S/C10H15NO2/c1-9(2)6-4-5-10(9,3)8(13)11-7(6)12/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKey
NRQVXWNPFZZDMQ-UHFFFAOYSA-N
Compound name
1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

30
Patents

181.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 140.6
[M+Na]+ 204.09950 150.1
[M+NH4]+ 199.14410 151.5
[M+K]+ 220.07344 142.9
[M-H]- 180.10300 139.7
[M+Na-2H]- 202.08495 144.2
[M]+ 181.10973 141.7
[M]- 181.11083 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe