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

52
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

literature stripe

Patent stripe

patents stripe