CID 5795476

78364-06-4

Structural Information

Molecular Formula
C12H10O4
SMILES
CCO/C=C/1\C2=CC=CC=C2C(=O)OC1=O
InChI
InChI=1S/C12H10O4/c1-2-15-7-10-8-5-3-4-6-9(8)11(13)16-12(10)14/h3-7H,2H2,1H3/b10-7+
InChIKey
DVHWPERWSCRNCH-JXMROGBWSA-N
Compound name
(4E)-4-(ethoxymethylidene)isochromene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.065176 142.1
[M+Na]+ 241.047118 151.3
[M-H]- 217.050624 147.6
[M+NH4]+ 236.091723 160.7
[M+K]+ 257.021058 149.8
[M+H-H2O]+ 201.055160 136.2
[M+HCOO]- 263.056101 163.3
[M+CH3COO]- 277.071751 187.2
[M+Na-2H]- 239.032566 149.2
[M]+ 218.05735142 144.5
[M]- 218.05844858 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.