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: 65
Patents: 190.06299 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.07027	139.0
[M+Na]+	213.05221	150.7
[M+NH4]+	208.09681	147.5
[M+K]+	229.02615	146.7
[M-H]-	189.05571	140.3
[M+Na-2H]-	211.03766	143.6
[M]+	190.06244	140.8
[M]-	190.06354	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe