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

36
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 137.9
[M+Na]+ 204.09950 147.5
[M-H]- 180.10300 138.7
[M+NH4]+ 199.14410 163.9
[M+K]+ 220.07344 144.4
[M+H-H2O]+ 164.10754 134.5
[M+HCOO]- 226.10848 154.7
[M+CH3COO]- 240.12413 179.6
[M+Na-2H]- 202.08495 143.4
[M]+ 181.10973 136.0
[M]- 181.11083 136.0
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