CID 206808

Brn 0648293

Structural Information

Molecular Formula
C11H10N2O
SMILES
C1CN2C=CC3=C2C(=CC=C3)NC1=O
InChI
InChI=1S/C11H10N2O/c14-10-5-7-13-6-4-8-2-1-3-9(12-10)11(8)13/h1-4,6H,5,7H2,(H,12,14)
InChIKey
PWAGBXSIUSOETB-UHFFFAOYSA-N
Compound name
1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

186.07932 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 134.7
[M+Na]+ 209.06854 146.3
[M+NH4]+ 204.11314 143.0
[M+K]+ 225.04248 142.8
[M-H]- 185.07204 135.6
[M+Na-2H]- 207.05399 140.0
[M]+ 186.07877 136.6
[M]- 186.07987 136.6
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

patents stripe