CID 10888732

Methyl 2-oxo-1-indanecarboxylate

Structural Information

Molecular Formula
C11H10O3
SMILES
COC(=O)C1C(=O)CC2=CC=CC=C12
InChI
InChI=1S/C11H10O3/c1-14-11(13)10-8-5-3-2-4-7(8)6-9(10)12/h2-5,10H,6H2,1H3
InChIKey
RWSYHHRDYRDVQL-UHFFFAOYSA-N
Compound name
methyl 2-oxo-1,3-dihydroindene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

190.06299 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 137.9
[M+Na]+ 213.052208 146.9
[M-H]- 189.055714 142.9
[M+NH4]+ 208.096813 160.7
[M+K]+ 229.026148 145.0
[M+H-H2O]+ 173.060250 132.9
[M+HCOO]- 235.061191 161.1
[M+CH3COO]- 249.076841 181.9
[M+Na-2H]- 211.037656 142.4
[M]+ 190.06244142 139.7
[M]- 190.06353858 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