CID 303841

3118-16-9

Structural Information

Molecular Formula
C11H11NO
SMILES
C1CC2C3=CC=CC=C3C1C(=O)N2
InChI
InChI=1S/C11H11NO/c13-11-9-5-6-10(12-11)8-4-2-1-3-7(8)9/h1-4,9-10H,5-6H2,(H,12,13)
InChIKey
BPBPNUGGTKXXAM-UHFFFAOYSA-N
Compound name
9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

173.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 131.6
[M+Na]+ 196.07328 144.6
[M+NH4]+ 191.11788 143.0
[M+K]+ 212.04722 136.7
[M-H]- 172.07678 131.6
[M+Na-2H]- 194.05873 132.9
[M]+ 173.08351 133.5
[M]- 173.08461 133.5
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

patents stripe