CID 60520

111896-94-7

Structural Information

Molecular Formula
C15H15NO3
SMILES
C1CN2CCC1C(=O)C2=CC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C15H15NO3/c17-15-11-3-5-16(6-4-11)12(15)7-10-1-2-13-14(8-10)19-9-18-13/h1-2,7-8,11H,3-6,9H2
InChIKey
NGNUATHUAAONSD-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 153.4
[M+Na]+ 280.09442 165.2
[M+NH4]+ 275.13902 163.8
[M+K]+ 296.06836 160.0
[M-H]- 256.09792 155.6
[M+Na-2H]- 278.07987 150.7
[M]+ 257.10465 155.6
[M]- 257.10575 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.