CID 446337

(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-one

Structural Information

Molecular Formula
C8H13NO
SMILES
CN1[C@@H]2CC[C@H]1CC(=O)C2
InChI
InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+
InChIKey
QQXLDOJGLXJCSE-KNVOCYPGSA-N
Compound name
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

81
References

7436
Patents

139.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 128.9
[M+Na]+ 162.088938 136.6
[M-H]- 138.092444 130.3
[M+NH4]+ 157.133543 153.0
[M+K]+ 178.062878 134.9
[M+H-H2O]+ 122.096980 123.8
[M+HCOO]- 184.097921 147.6
[M+CH3COO]- 198.113571 174.4
[M+Na-2H]- 160.074386 133.9
[M]+ 139.09917142 126.2
[M]- 139.10026858 126.2
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