CID 261184

Scopoline

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CN1C2CC3CC1C(C2O)O3

InChI

InChI=1S/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3

InChIKey

MEGPURSNXMUDAE-UHFFFAOYSA-N

Compound name

6-methyl-2-oxa-6-azatricyclo[3.3.1.03,7]nonan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 194
Patents: 155.09464 Da
Monoisotopic Mass: -0.2
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	126.2
[M+Na]+	178.08386	134.8
[M+NH4]+	173.12846	137.0
[M+K]+	194.05780	133.7
[M-H]-	154.08736	124.2
[M+Na-2H]-	176.06931	121.0
[M]+	155.09409	126.6
[M]-	155.09519	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe