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

26
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 135.1
[M+Na]+ 215.03147 146.3
[M-H]- 191.03497 139.3
[M+NH4]+ 210.07607 155.5
[M+K]+ 231.00541 144.6
[M+H-H2O]+ 175.03951 130.8
[M+HCOO]- 237.04045 157.6
[M+CH3COO]- 251.05610 178.2
[M+Na-2H]- 213.01692 141.4
[M]+ 192.04170 139.0
[M]- 192.04280 139.0
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