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: 6
References: 64
Patents: 155.09464 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe