CID 589648

49583-83-7

Structural Information

Molecular Formula

C₁₂H₁₀O₄

SMILES

CCOC(=O)C1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C12H10O4/c1-2-16-12(15)9-10(13)7-5-3-4-6-8(7)11(9)14/h3-6,9H,2H2,1H3

InChIKey

PVCYZWDBTRWGCB-UHFFFAOYSA-N

Compound name

ethyl 1,3-dioxoindene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 218.0579 Da
Monoisotopic Mass: 1.9
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]+	219.06518	143.3
[M+Na]+	241.04712	153.0
[M-H]-	217.05062	148.5
[M+NH4]+	236.09172	165.0
[M+K]+	257.02106	150.8
[M+H-H2O]+	201.05516	138.3
[M+HCOO]-	263.05610	166.6
[M+CH3COO]-	277.07175	187.4
[M+Na-2H]-	239.03257	146.8
[M]+	218.05735	146.6
[M]-	218.05845	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe