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

1
Patents

185.08406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.091336 137.1
[M+Na]+ 208.073278 144.8
[M-H]- 184.076784 136.3
[M+NH4]+ 203.117883 160.6
[M+K]+ 224.047218 141.3
[M+H-H2O]+ 168.081320 130.7
[M+HCOO]- 230.082261 151.0
[M+CH3COO]- 244.097911 149.2
[M+Na-2H]- 206.058726 149.2
[M]+ 185.08351142 140.0
[M]- 185.08460858 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