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
2
Annotation Hits

1
References

14
Patents

218.0579 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.065176 143.3
[M+Na]+ 241.047118 153.0
[M-H]- 217.050624 148.5
[M+NH4]+ 236.091723 165.0
[M+K]+ 257.021058 150.8
[M+H-H2O]+ 201.055160 138.3
[M+HCOO]- 263.056101 166.6
[M+CH3COO]- 277.071751 187.4
[M+Na-2H]- 239.032566 146.8
[M]+ 218.05735142 146.6
[M]- 218.05844858 146.6
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