CID 217222

38322-74-6

Structural Information

Molecular Formula
C13H12O5
SMILES
CCOC(=O)C1=CC(=O)C2=C(O1)C=C(C=C2)OC
InChI
InChI=1S/C13H12O5/c1-3-17-13(15)12-7-10(14)9-5-4-8(16-2)6-11(9)18-12/h4-7H,3H2,1-2H3
InChIKey
QBQCROLDTZVZHW-UHFFFAOYSA-N
Compound name
ethyl 7-methoxy-4-oxochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

248.06847 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07575 149.3
[M+Na]+ 271.05769 159.3
[M-H]- 247.06119 155.4
[M+NH4]+ 266.10229 166.7
[M+K]+ 287.03163 158.9
[M+H-H2O]+ 231.06573 142.8
[M+HCOO]- 293.06667 172.0
[M+CH3COO]- 307.08232 193.4
[M+Na-2H]- 269.04314 156.4
[M]+ 248.06792 156.4
[M]- 248.06902 156.4
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