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

10
Patents

222.05283 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06011 142.0
[M+Na]+ 245.04205 153.0
[M-H]- 221.04555 147.3
[M+NH4]+ 240.08665 161.8
[M+K]+ 261.01599 152.6
[M+H-H2O]+ 205.05009 137.1
[M+HCOO]- 267.05103 165.8
[M+CH3COO]- 281.06668 185.8
[M+Na-2H]- 243.02750 148.3
[M]+ 222.05228 149.5
[M]- 222.05338 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