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]+ 187.086596 137.7
[M+Na]+ 209.068538 146.8
[M-H]- 185.072044 140.6
[M+NH4]+ 204.113143 157.5
[M+K]+ 225.042478 145.4
[M+H-H2O]+ 169.076580 131.6
[M+HCOO]- 231.077521 156.7
[M+CH3COO]- 245.093171 150.4
[M+Na-2H]- 207.053986 145.3
[M]+ 186.07877142 135.0
[M]- 186.07986858 135.0
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