CID 790876

56820-12-3

Structural Information

Molecular Formula
C14H14O5
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C)C
InChI
InChI=1S/C14H14O5/c1-4-17-14(16)13-8(2)18-12-6-5-10(7-11(12)13)19-9(3)15/h5-7H,4H2,1-3H3
InChIKey
MQQLZGZIWPSUHH-UHFFFAOYSA-N
Compound name
ethyl 5-acetyloxy-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

262.08414 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09142 155.4
[M+Na]+ 285.07336 165.6
[M-H]- 261.07686 161.8
[M+NH4]+ 280.11796 174.3
[M+K]+ 301.04730 165.3
[M+H-H2O]+ 245.08140 149.9
[M+HCOO]- 307.08234 178.9
[M+CH3COO]- 321.09799 196.1
[M+Na-2H]- 283.05881 159.3
[M]+ 262.08359 164.3
[M]- 262.08469 164.3
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

No patent data available for this compound.