CID 214620

33543-95-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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

No literature data available for this compound.

Patent stripe

patents stripe