CID 57493871

Methyl 4-hydroxy-1-benzofuran-6-carboxylate

Structural Information

Molecular Formula
C10H8O4
SMILES
COC(=O)C1=CC(=C2C=COC2=C1)O
InChI
InChI=1S/C10H8O4/c1-13-10(12)6-4-8(11)7-2-3-14-9(7)5-6/h2-5,11H,1H3
InChIKey
QXBMFLNFZUZNRZ-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-1-benzofuran-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

192.04225 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.049526 135.1
[M+Na]+ 215.031468 145.9
[M-H]- 191.034974 140.3
[M+NH4]+ 210.076073 156.0
[M+K]+ 231.005408 145.0
[M+H-H2O]+ 175.039510 130.4
[M+HCOO]- 237.040451 159.1
[M+CH3COO]- 251.056101 178.7
[M+Na-2H]- 213.016916 142.5
[M]+ 192.04170142 140.3
[M]- 192.04279858 140.3
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