CID 110737

5932-53-6

Structural Information

Molecular Formula
C8H13NO2
SMILES
CN1C2CC(C1CC(=O)C2)O
InChI
InChI=1S/C8H13NO2/c1-9-5-2-6(10)4-7(9)8(11)3-5/h5,7-8,11H,2-4H2,1H3
InChIKey
UOHSTKWPZWFYTF-UHFFFAOYSA-N
Compound name
6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

39
Patents

155.09464 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 132.3
[M+Na]+ 178.08386 140.3
[M-H]- 154.08736 132.6
[M+NH4]+ 173.12846 155.3
[M+K]+ 194.05780 138.2
[M+H-H2O]+ 138.09190 127.7
[M+HCOO]- 200.09284 149.6
[M+CH3COO]- 214.10849 175.1
[M+Na-2H]- 176.06931 136.2
[M]+ 155.09409 129.6
[M]- 155.09519 129.6
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