CID 60524

2-(furyl-2-methyl)-3-oxoquinuclidine hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CN2CCC1C(=O)C2CC3=CC=CO3
InChI
InChI=1S/C12H15NO2/c14-12-9-3-5-13(6-4-9)11(12)8-10-2-1-7-15-10/h1-2,7,9,11H,3-6,8H2
InChIKey
OWZARUDERRFQPK-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 140.4
[M+Na]+ 228.09950 151.5
[M+NH4]+ 223.14410 151.1
[M+K]+ 244.07344 146.4
[M-H]- 204.10300 141.1
[M+Na-2H]- 226.08495 139.3
[M]+ 205.10973 142.1
[M]- 205.11083 142.1
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

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No patent data available for this compound.