CID 10012730

55934-10-6

Structural Information

Molecular Formula
C11H10O3
SMILES
COC(=O)C1=CC=CC2=C1CCC2=O
InChI
InChI=1S/C11H10O3/c1-14-11(13)9-4-2-3-8-7(9)5-6-10(8)12/h2-4H,5-6H2,1H3
InChIKey
PGGSYJMONFCBEJ-UHFFFAOYSA-N
Compound name
methyl 1-oxo-2,3-dihydroindene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

190.06299 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 137.9
[M+Na]+ 213.05221 146.9
[M-H]- 189.05571 142.9
[M+NH4]+ 208.09681 160.7
[M+K]+ 229.02615 145.0
[M+H-H2O]+ 173.06025 132.9
[M+HCOO]- 235.06119 161.1
[M+CH3COO]- 249.07684 181.9
[M+Na-2H]- 211.03766 142.4
[M]+ 190.06244 139.7
[M]- 190.06354 139.7
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