CID 3065114

106824-80-0

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1CCC2=CC3=C(C=C2C1)C(=O)C(=O)N3
InChI
InChI=1S/C12H11NO2/c14-11-9-5-7-3-1-2-4-8(7)6-10(9)13-12(11)15/h5-6H,1-4H2,(H,13,14,15)
InChIKey
IRICXQWNLWGILY-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-1H-benzo[f]indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07898 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 142.9
[M+Na]+ 224.06820 154.9
[M+NH4]+ 219.11280 152.0
[M+K]+ 240.04214 150.0
[M-H]- 200.07170 144.4
[M+Na-2H]- 222.05365 146.3
[M]+ 201.07843 144.8
[M]- 201.07953 144.8
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.