CID 10910629

6742-25-2

Structural Information

Molecular Formula
C12H12O3
SMILES
CCOC(=O)C1CC2=CC=CC=C2C1=O
InChI
InChI=1S/C12H12O3/c1-2-15-12(14)10-7-8-5-3-4-6-9(8)11(10)13/h3-6,10H,2,7H2,1H3
InChIKey
CRUSDTXUTKVYLW-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-1,2-dihydroindene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

204.07864 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 142.7
[M+Na]+ 227.06786 151.3
[M-H]- 203.07136 147.5
[M+NH4]+ 222.11246 164.9
[M+K]+ 243.04180 149.1
[M+H-H2O]+ 187.07590 137.5
[M+HCOO]- 249.07684 165.6
[M+CH3COO]- 263.09249 184.9
[M+Na-2H]- 225.05331 146.6
[M]+ 204.07809 144.8
[M]- 204.07919 144.8
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