CID 4088910

7-methoxy-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C9H7NO3
SMILES
COC1=CC=CC2=C1NC(=O)C2=O
InChI
InChI=1S/C9H7NO3/c1-13-6-4-2-3-5-7(6)10-9(12)8(5)11/h2-4H,1H3,(H,10,11,12)
InChIKey
URXIUXOJSICGOD-UHFFFAOYSA-N
Compound name
7-methoxy-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

105
Patents

177.04259 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.049866 132.8
[M+Na]+ 200.031808 143.3
[M-H]- 176.035314 135.5
[M+NH4]+ 195.076413 154.2
[M+K]+ 216.005748 140.4
[M+H-H2O]+ 160.039850 127.4
[M+HCOO]- 222.040791 154.8
[M+CH3COO]- 236.056441 177.0
[M+Na-2H]- 198.017256 138.3
[M]+ 177.04204142 133.6
[M]- 177.04313858 133.6
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