CID 589802

5-(propan-2-yl)-1h-indole-2,3-dione

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC(C)C1=CC2=C(C=C1)NC(=O)C2=O
InChI
InChI=1S/C11H11NO2/c1-6(2)7-3-4-9-8(5-7)10(13)11(14)12-9/h3-6H,1-2H3,(H,12,13,14)
InChIKey
LFNQRSQKXQFHDB-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

189.07898 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 139.4
[M+Na]+ 212.06820 149.0
[M-H]- 188.07170 141.9
[M+NH4]+ 207.11280 160.4
[M+K]+ 228.04214 145.5
[M+H-H2O]+ 172.07624 134.1
[M+HCOO]- 234.07718 159.6
[M+CH3COO]- 248.09283 181.8
[M+Na-2H]- 210.05365 142.6
[M]+ 189.07843 138.9
[M]- 189.07953 138.9
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.