CID 38296

5,7-dimethylisatin

Structural Information

Molecular Formula
C10H9NO2
SMILES
CC1=CC(=C2C(=C1)C(=O)C(=O)N2)C
InChI
InChI=1S/C10H9NO2/c1-5-3-6(2)8-7(4-5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13)
InChIKey
HFZSCCJTJGWTDZ-UHFFFAOYSA-N
Compound name
5,7-dimethyl-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

148
Patents

175.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 134.1
[M+Na]+ 198.05254 145.3
[M-H]- 174.05604 137.0
[M+NH4]+ 193.09714 156.0
[M+K]+ 214.02648 141.5
[M+H-H2O]+ 158.06058 129.1
[M+HCOO]- 220.06152 155.6
[M+CH3COO]- 234.07717 179.1
[M+Na-2H]- 196.03799 138.3
[M]+ 175.06277 134.2
[M]- 175.06387 134.2
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