CID 19986005

Ethyl 2,5-dioxo-5,6,7,8-tetrahydro-2h-chromene-3-carboxylate

Structural Information

Molecular Formula
C12H12O5
SMILES
CCOC(=O)C1=CC2=C(CCCC2=O)OC1=O
InChI
InChI=1S/C12H12O5/c1-2-16-11(14)8-6-7-9(13)4-3-5-10(7)17-12(8)15/h6H,2-5H2,1H3
InChIKey
DNZQBOVZFWQLMA-UHFFFAOYSA-N
Compound name
ethyl 2,5-dioxo-7,8-dihydro-6H-chromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

236.06847 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.075746 145.4
[M+Na]+ 259.057688 154.1
[M-H]- 235.061194 150.9
[M+NH4]+ 254.102293 163.1
[M+K]+ 275.031628 153.6
[M+H-H2O]+ 219.065730 139.3
[M+HCOO]- 281.066671 165.7
[M+CH3COO]- 295.082321 190.4
[M+Na-2H]- 257.043136 151.3
[M]+ 236.06792142 148.6
[M]- 236.06901858 148.6
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

patents stripe