CID 15607695

Methyl 3-oxo-2,3-dihydro-1h-indene-4-carboxylate

Structural Information

Molecular Formula
C11H10O3
SMILES
COC(=O)C1=CC=CC2=C1C(=O)CC2
InChI
InChI=1S/C11H10O3/c1-14-11(13)8-4-2-3-7-5-6-9(12)10(7)8/h2-4H,5-6H2,1H3
InChIKey
IWXPLHPHGIOZRR-UHFFFAOYSA-N
Compound name
methyl 3-oxo-1,2-dihydroindene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.