CID 785374

7287-51-6

Structural Information

Molecular Formula
C13H14O4
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)C
InChI
InChI=1S/C13H14O4/c1-4-16-13(14)12-8(2)17-11-6-5-9(15-3)7-10(11)12/h5-7H,4H2,1-3H3
InChIKey
JTVBUFPPKSXXJT-UHFFFAOYSA-N
Compound name
ethyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.0892 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09648 148.6
[M+Na]+ 257.07842 159.4
[M-H]- 233.08192 155.1
[M+NH4]+ 252.12302 168.9
[M+K]+ 273.05236 158.8
[M+H-H2O]+ 217.08646 143.4
[M+HCOO]- 279.08740 173.1
[M+CH3COO]- 293.10305 191.5
[M+Na-2H]- 255.06387 154.2
[M]+ 234.08865 157.2
[M]- 234.08975 157.2
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