CID 2471305

1-ethyl-5-methyl-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C11H11NO2
SMILES
CCN1C2=C(C=C(C=C2)C)C(=O)C1=O
InChI
InChI=1S/C11H11NO2/c1-3-12-9-5-4-7(2)6-8(9)10(13)11(12)14/h4-6H,3H2,1-2H3
InChIKey
LDHAHZVNUDXOIM-UHFFFAOYSA-N
Compound name
1-ethyl-5-methylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

52
Patents

189.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 137.9
[M+Na]+ 212.06820 149.1
[M-H]- 188.07170 142.1
[M+NH4]+ 207.11280 160.0
[M+K]+ 228.04214 146.0
[M+H-H2O]+ 172.07624 132.4
[M+HCOO]- 234.07718 160.6
[M+CH3COO]- 248.09283 184.7
[M+Na-2H]- 210.05365 142.1
[M]+ 189.07843 140.2
[M]- 189.07953 140.2
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