CID 2891692

Methyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C11H10O4
SMILES
CC1=C(C2=C(O1)C=CC(=C2)O)C(=O)OC
InChI
InChI=1S/C11H10O4/c1-6-10(11(13)14-2)8-5-7(12)3-4-9(8)15-6/h3-5,12H,1-2H3
InChIKey
QZLJYWONHJSRPM-UHFFFAOYSA-N
Compound name
methyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

206.0579 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 139.5
[M+Na]+ 229.04712 150.7
[M-H]- 205.05062 144.9
[M+NH4]+ 224.09172 160.2
[M+K]+ 245.02106 149.7
[M+H-H2O]+ 189.05516 134.8
[M+HCOO]- 251.05610 163.2
[M+CH3COO]- 265.07175 183.0
[M+Na-2H]- 227.03257 145.7
[M]+ 206.05735 145.5
[M]- 206.05845 145.5
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