CID 12309613

2,3-dihydro-1-methyl-1h-indole-5,6-dione

Structural Information

Molecular Formula
C9H9NO2
SMILES
CN1CCC2=CC(=O)C(=O)C=C21
InChI
InChI=1S/C9H9NO2/c1-10-3-2-6-4-8(11)9(12)5-7(6)10/h4-5H,2-3H2,1H3
InChIKey
AAKISOQUIWOBTP-UHFFFAOYSA-N
Compound name
1-methyl-2,3-dihydroindole-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.06332 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 130.8
[M+Na]+ 186.05254 140.9
[M-H]- 162.05604 134.5
[M+NH4]+ 181.09714 153.6
[M+K]+ 202.02648 138.5
[M+H-H2O]+ 146.06058 125.4
[M+HCOO]- 208.06152 152.7
[M+CH3COO]- 222.07717 177.8
[M+Na-2H]- 184.03799 135.7
[M]+ 163.06277 130.6
[M]- 163.06387 130.6
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