CID 13554779

3-methoxy-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C10H8O4
SMILES
COC1=C(OC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C10H8O4/c1-13-8-6-4-2-3-5-7(6)14-9(8)10(11)12/h2-5H,1H3,(H,11,12)
InChIKey
MZOCFIBSONGMJF-UHFFFAOYSA-N
Compound name
3-methoxy-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

192.04225 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 134.9
[M+Na]+ 215.03147 145.6
[M-H]- 191.03497 140.0
[M+NH4]+ 210.07607 155.7
[M+K]+ 231.00541 144.7
[M+H-H2O]+ 175.03951 130.1
[M+HCOO]- 237.04045 158.9
[M+CH3COO]- 251.05610 179.4
[M+Na-2H]- 213.01692 142.3
[M]+ 192.04170 140.2
[M]- 192.04280 140.2
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