CID 363429

Nsc628340

Structural Information

Molecular Formula
C11H10O5
SMILES
COC1=CC=CC2=C1OC(=C2OC)C(=O)O
InChI
InChI=1S/C11H10O5/c1-14-7-5-3-4-6-8(7)16-10(11(12)13)9(6)15-2/h3-5H,1-2H3,(H,12,13)
InChIKey
LPFARVHTKDMDGU-UHFFFAOYSA-N
Compound name
3,7-dimethoxy-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

222.05283 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.060106 142.0
[M+Na]+ 245.042048 153.0
[M-H]- 221.045554 147.3
[M+NH4]+ 240.086653 161.8
[M+K]+ 261.015988 152.6
[M+H-H2O]+ 205.050090 137.1
[M+HCOO]- 267.051031 165.8
[M+CH3COO]- 281.066681 185.8
[M+Na-2H]- 243.027496 148.3
[M]+ 222.05228142 149.5
[M]- 222.05337858 149.5
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