CID 265138

4425-15-4

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1CCN2C3=C(C1)C=CC=C3C(=O)C2=O
InChI
InChI=1S/C12H11NO2/c14-11-9-6-3-5-8-4-1-2-7-13(10(8)9)12(11)15/h3,5-6H,1-2,4,7H2
InChIKey
CDNJLJKUQJJIJK-UHFFFAOYSA-N
Compound name
1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

201.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 141.0
[M+Na]+ 224.06820 148.9
[M-H]- 200.07170 146.0
[M+NH4]+ 219.11280 162.0
[M+K]+ 240.04214 148.4
[M+H-H2O]+ 184.07624 136.1
[M+HCOO]- 246.07718 159.8
[M+CH3COO]- 260.09283 153.8
[M+Na-2H]- 222.05365 146.2
[M]+ 201.07843 138.0
[M]- 201.07953 138.0
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

No patent data available for this compound.