CID 247365

7-ethyl-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C10H9NO2
SMILES
CCC1=C2C(=CC=C1)C(=O)C(=O)N2
InChI
InChI=1S/C10H9NO2/c1-2-6-4-3-5-7-8(6)11-10(13)9(7)12/h3-5H,2H2,1H3,(H,11,12,13)
InChIKey
YMZGAPGIOFRUFU-UHFFFAOYSA-N
Compound name
7-ethyl-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

65
Patents

175.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 134.6
[M+Na]+ 198.05254 144.8
[M-H]- 174.05604 137.1
[M+NH4]+ 193.09714 156.2
[M+K]+ 214.02648 141.1
[M+H-H2O]+ 158.06058 129.2
[M+HCOO]- 220.06152 156.1
[M+CH3COO]- 234.07717 177.9
[M+Na-2H]- 196.03799 139.5
[M]+ 175.06277 134.3
[M]- 175.06387 134.3
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