CID 2732919

1-azabicyclo[2.2.2]octan-3-one, 2-[(4-methoxyphenyl)methylene]-

Structural Information

Molecular Formula
C15H17NO2
SMILES
COC1=CC=C(C=C1)C=C2C(=O)C3CCN2CC3
InChI
InChI=1S/C15H17NO2/c1-18-13-4-2-11(3-5-13)10-14-15(17)12-6-8-16(14)9-7-12/h2-5,10,12H,6-9H2,1H3
InChIKey
DGCCLZXEXPYXMT-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

47
Patents

243.12593 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.133206 153.3
[M+Na]+ 266.115148 158.3
[M-H]- 242.118654 151.9
[M+NH4]+ 261.159753 173.8
[M+K]+ 282.089088 154.3
[M+H-H2O]+ 226.123190 146.2
[M+HCOO]- 288.124131 164.3
[M+CH3COO]- 302.139781 163.1
[M+Na-2H]- 264.100596 162.6
[M]+ 243.12538142 154.5
[M]- 243.12647858 154.5
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