CID 22628334

5-methoxy-2,3-dihydrobenzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C10H10O4
SMILES
COC1=CC2=C(C=C1)OC(C2)C(=O)O
InChI
InChI=1S/C10H10O4/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-4,9H,5H2,1H3,(H,11,12)
InChIKey
FAWZPILQQANJKM-UHFFFAOYSA-N
Compound name
5-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

194.0579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 137.4
[M+Na]+ 217.047118 146.1
[M-H]- 193.050624 141.8
[M+NH4]+ 212.091723 157.9
[M+K]+ 233.021058 145.5
[M+H-H2O]+ 177.055160 132.7
[M+HCOO]- 239.056101 158.5
[M+CH3COO]- 253.071751 180.0
[M+Na-2H]- 215.032566 143.0
[M]+ 194.05735142 139.8
[M]- 194.05844858 139.8
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