CID 2801504

Ethyl 5-hydroxy-4-oxo-4h-chromene-2-carboxylate

Structural Information

Molecular Formula
C12H10O5
SMILES
CCOC(=O)C1=CC(=O)C2=C(C=CC=C2O1)O
InChI
InChI=1S/C12H10O5/c1-2-16-12(15)10-6-8(14)11-7(13)4-3-5-9(11)17-10/h3-6,13H,2H2,1H3
InChIKey
ORCWNDBOHDDRSM-UHFFFAOYSA-N
Compound name
ethyl 5-hydroxy-4-oxochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

45
Patents

234.05283 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06011 145.1
[M+Na]+ 257.04205 155.1
[M-H]- 233.04555 150.0
[M+NH4]+ 252.08665 162.5
[M+K]+ 273.01599 154.1
[M+H-H2O]+ 217.05009 139.1
[M+HCOO]- 279.05103 166.6
[M+CH3COO]- 293.06668 188.0
[M+Na-2H]- 255.02750 152.3
[M]+ 234.05228 150.0
[M]- 234.05338 150.0
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