CID 372101

65112-88-1

Structural Information

Molecular Formula
C12H11NO4
SMILES
CCOC(=O)C(=O)C1C2=CC=CC=C2NC1=O
InChI
InChI=1S/C12H11NO4/c1-2-17-12(16)10(14)9-7-5-3-4-6-8(7)13-11(9)15/h3-6,9H,2H2,1H3,(H,13,15)
InChIKey
UXGCSFRJKPEYBN-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

233.0688 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.076076 149.3
[M+Na]+ 256.058018 157.2
[M-H]- 232.061524 151.3
[M+NH4]+ 251.102623 167.9
[M+K]+ 272.031958 154.6
[M+H-H2O]+ 216.066060 143.3
[M+HCOO]- 278.067001 168.7
[M+CH3COO]- 292.082651 187.3
[M+Na-2H]- 254.043466 151.6
[M]+ 233.06825142 150.2
[M]- 233.06934858 150.2
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