CID 217218

Ethyl 6-methyl-4-oxo-4h-chromene-2-carboxylate

Structural Information

Molecular Formula
C13H12O4
SMILES
CCOC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)C
InChI
InChI=1S/C13H12O4/c1-3-16-13(15)12-7-10(14)9-6-8(2)4-5-11(9)17-12/h4-7H,3H2,1-2H3
InChIKey
OUPTVBRQLKDPCJ-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-4-oxochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

232.07356 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08084 147.1
[M+Na]+ 255.06278 161.7
[M+NH4]+ 250.10738 155.0
[M+K]+ 271.03672 155.7
[M-H]- 231.06628 150.4
[M+Na-2H]- 253.04823 152.9
[M]+ 232.07301 150.1
[M]- 232.07411 150.1
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