CID 10375253

Methyl 1-oxo-2,3-dihydro-1h-indene-5-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
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