CID 515958

Chembl149844

Structural Information

Molecular Formula
C11H9NO3
SMILES
CC(=O)C1=CC2=C(C=C1)N(C(=O)C2=O)C
InChI
InChI=1S/C11H9NO3/c1-6(13)7-3-4-9-8(5-7)10(14)11(15)12(9)2/h3-5H,1-2H3
InChIKey
CAHYOYDJQOYIKJ-UHFFFAOYSA-N
Compound name
5-acetyl-1-methylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

203.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 139.4
[M+Na]+ 226.04746 150.4
[M-H]- 202.05096 143.7
[M+NH4]+ 221.09206 160.7
[M+K]+ 242.02140 147.8
[M+H-H2O]+ 186.05550 134.1
[M+HCOO]- 248.05644 161.5
[M+CH3COO]- 262.07209 186.8
[M+Na-2H]- 224.03291 142.6
[M]+ 203.05769 141.9
[M]- 203.05879 141.9
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.