CID 79038

Tropinone

Structural Information

Molecular Formula
C8H13NO
SMILES
CN1C2CCC1CC(=O)C2
InChI
InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3
InChIKey
QQXLDOJGLXJCSE-UHFFFAOYSA-N
Compound name
8-methyl-8-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

81
References

5740
Patents

139.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 129.2
[M+Na]+ 162.08894 139.6
[M+NH4]+ 157.13354 138.8
[M+K]+ 178.06288 135.2
[M-H]- 138.09244 129.7
[M+Na-2H]- 160.07439 131.6
[M]+ 139.09917 130.6
[M]- 139.10027 130.6
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