CID 13780414

6,7,8,9-tetrahydro-1h-benzo[g]indole-2,3-dione

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1CCC2=C(C1)C=CC3=C2NC(=O)C3=O
InChI
InChI=1S/C12H11NO2/c14-11-9-6-5-7-3-1-2-4-8(7)10(9)13-12(11)15/h5-6H,1-4H2,(H,13,14,15)
InChIKey
ADQOEXMBQYZXQN-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-1H-benzo[g]indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

201.07898 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 141.7
[M+Na]+ 224.06820 150.3
[M-H]- 200.07170 144.3
[M+NH4]+ 219.11280 162.8
[M+K]+ 240.04214 145.6
[M+H-H2O]+ 184.07624 135.8
[M+HCOO]- 246.07718 159.3
[M+CH3COO]- 260.09283 154.2
[M+Na-2H]- 222.05365 146.3
[M]+ 201.07843 137.9
[M]- 201.07953 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe