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

29
Patents

192.04225 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.049526 135.1
[M+Na]+ 215.031468 146.3
[M-H]- 191.034974 139.3
[M+NH4]+ 210.076073 155.5
[M+K]+ 231.005408 144.6
[M+H-H2O]+ 175.039510 130.8
[M+HCOO]- 237.040451 157.6
[M+CH3COO]- 251.056101 178.2
[M+Na-2H]- 213.016916 141.4
[M]+ 192.04170142 139.0
[M]- 192.04279858 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