CID 9497662

4-hydroxy-3-methyl-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C10H8O4
SMILES
CC1=C(OC2=CC=CC(=C12)O)C(=O)O
InChI
InChI=1S/C10H8O4/c1-5-8-6(11)3-2-4-7(8)14-9(5)10(12)13/h2-4,11H,1H3,(H,12,13)
InChIKey
ZECFDSHQTNXXCA-UHFFFAOYSA-N
Compound name
4-hydroxy-3-methyl-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
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 136.0
[M+Na]+ 215.03147 148.9
[M+NH4]+ 210.07607 143.6
[M+K]+ 231.00541 146.5
[M-H]- 191.03497 137.8
[M+Na-2H]- 213.01692 140.4
[M]+ 192.04170 138.2
[M]- 192.04280 138.2
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