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

112
Patents

236.06847 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07575 145.4
[M+Na]+ 259.05769 154.1
[M-H]- 235.06119 150.9
[M+NH4]+ 254.10229 163.1
[M+K]+ 275.03163 153.6
[M+H-H2O]+ 219.06573 139.3
[M+HCOO]- 281.06667 165.7
[M+CH3COO]- 295.08232 190.4
[M+Na-2H]- 257.04314 151.3
[M]+ 236.06792 148.6
[M]- 236.06902 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