CID 429398

13131-19-6

Structural Information

Molecular Formula
C12H11NO
SMILES
CN1C2C=CC(C1=O)C3=CC=CC=C23
InChI
InChI=1S/C12H11NO/c1-13-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7,10-11H,1H3
InChIKey
OWBAMKRGIUPCCJ-UHFFFAOYSA-N
Compound name
9-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,11-tetraen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.08406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09134 137.1
[M+Na]+ 208.07328 144.8
[M-H]- 184.07678 136.3
[M+NH4]+ 203.11788 160.6
[M+K]+ 224.04722 141.3
[M+H-H2O]+ 168.08132 130.7
[M+HCOO]- 230.08226 151.0
[M+CH3COO]- 244.09791 149.2
[M+Na-2H]- 206.05873 149.2
[M]+ 185.08351 140.0
[M]- 185.08461 140.0
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