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 140.0
[M+Na]+ 228.09950 145.4
[M-H]- 204.10300 139.5
[M+NH4]+ 223.14410 162.6
[M+K]+ 244.07344 143.7
[M+H-H2O]+ 188.10754 134.4
[M+HCOO]- 250.10848 152.0
[M+CH3COO]- 264.12413 151.3
[M+Na-2H]- 226.08495 149.4
[M]+ 205.10973 142.2
[M]- 205.11083 142.2
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

No patent data available for this compound.