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 133.1
[M+Na]+ 196.07328 139.0
[M-H]- 172.07678 130.4
[M+NH4]+ 191.11788 156.0
[M+K]+ 212.04722 135.0
[M+H-H2O]+ 156.08132 127.1
[M+HCOO]- 218.08226 144.5
[M+CH3COO]- 232.09791 144.1
[M+Na-2H]- 194.05873 145.1
[M]+ 173.08351 132.2
[M]- 173.08461 132.2
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