CID 5702825

Ethyl 7-hydroxycoumarin-4-carboxylate

Structural Information

Molecular Formula
C12H10O5
SMILES
CCOC(=O)C1=CC(=O)OC2=C1C=CC(=C2)O
InChI
InChI=1S/C12H10O5/c1-2-16-12(15)9-6-11(14)17-10-5-7(13)3-4-8(9)10/h3-6,13H,2H2,1H3
InChIKey
SNMUERBNQDOIQB-UHFFFAOYSA-N
Compound name
ethyl 7-hydroxy-2-oxochromene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

234.05283 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06011 146.3
[M+Na]+ 257.04205 160.1
[M+NH4]+ 252.08665 153.4
[M+K]+ 273.01599 155.2
[M-H]- 233.04555 148.6
[M+Na-2H]- 255.02750 151.3
[M]+ 234.05228 148.8
[M]- 234.05338 148.8
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