CID 81704

7287-40-3

Structural Information

Molecular Formula
C12H12O4
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C
InChI
InChI=1S/C12H12O4/c1-3-15-12(14)11-7(2)16-10-5-4-8(13)6-9(10)11/h4-6,13H,3H2,1-2H3
InChIKey
KSNVFCJUBJUTPF-UHFFFAOYSA-N
Compound name
ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

31
Patents

220.07356 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 144.4
[M+Na]+ 243.06278 155.2
[M-H]- 219.06628 149.6
[M+NH4]+ 238.10738 164.5
[M+K]+ 259.03672 153.9
[M+H-H2O]+ 203.07082 139.5
[M+HCOO]- 265.07176 167.7
[M+CH3COO]- 279.08741 186.0
[M+Na-2H]- 241.04823 150.0
[M]+ 220.07301 150.7
[M]- 220.07411 150.7
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