CID 11206347

Methyl 5-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C10H10O4
SMILES
COC(=O)C1CC2=C(O1)C=CC(=C2)O
InChI
InChI=1S/C10H10O4/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-4,9,11H,5H2,1H3
InChIKey
WQQGWHUQZPKEDL-UHFFFAOYSA-N
Compound name
methyl 5-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

194.0579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 137.6
[M+Na]+ 217.04712 146.4
[M-H]- 193.05062 142.0
[M+NH4]+ 212.09172 158.3
[M+K]+ 233.02106 145.8
[M+H-H2O]+ 177.05516 133.0
[M+HCOO]- 239.05610 158.8
[M+CH3COO]- 253.07175 179.3
[M+Na-2H]- 215.03257 143.2
[M]+ 194.05735 140.0
[M]- 194.05845 140.0
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