CID 331038

3-(hydroxymethyl)-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C10H8O4
SMILES
C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CO
InChI
InChI=1S/C10H8O4/c11-5-7-6-3-1-2-4-8(6)14-9(7)10(12)13/h1-4,11H,5H2,(H,12,13)
InChIKey
NMPZORNFAZEDNF-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

192.04225 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 135.5
[M+Na]+ 215.03147 145.7
[M-H]- 191.03497 139.2
[M+NH4]+ 210.07607 155.6
[M+K]+ 231.00541 144.0
[M+H-H2O]+ 175.03951 130.9
[M+HCOO]- 237.04045 158.0
[M+CH3COO]- 251.05610 176.9
[M+Na-2H]- 213.01692 142.4
[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