CID 3163284

3,7-dimethyl-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C11H10O3
SMILES
CC1=C2C(=CC=C1)C(=C(O2)C(=O)O)C
InChI
InChI=1S/C11H10O3/c1-6-4-3-5-8-7(2)10(11(12)13)14-9(6)8/h3-5H,1-2H3,(H,12,13)
InChIKey
KUEJSYJMMRPGTH-UHFFFAOYSA-N
Compound name
3,7-dimethyl-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

190.06299 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 136.7
[M+Na]+ 213.05221 150.5
[M+NH4]+ 208.09681 145.2
[M+K]+ 229.02615 147.0
[M-H]- 189.05571 139.5
[M+Na-2H]- 211.03766 141.9
[M]+ 190.06244 139.5
[M]- 190.06354 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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