CID 744757

6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C12H12O5
SMILES
CC1=C(OC2=C1C=CC(=C2OC)OC)C(=O)O
InChI
InChI=1S/C12H12O5/c1-6-7-4-5-8(15-2)11(16-3)10(7)17-9(6)12(13)14/h4-5H,1-3H3,(H,13,14)
InChIKey
QPCXEGHLFLPDSP-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

236.06847 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.075746 146.4
[M+Na]+ 259.057688 157.8
[M-H]- 235.061194 151.9
[M+NH4]+ 254.102293 165.9
[M+K]+ 275.031628 157.2
[M+H-H2O]+ 219.065730 141.5
[M+HCOO]- 281.066671 169.8
[M+CH3COO]- 295.082321 190.1
[M+Na-2H]- 257.043136 151.5
[M]+ 236.06792142 154.7
[M]- 236.06901858 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe