CID 877801

2-(6-methyl-1-benzofuran-3-yl)acetic acid

Structural Information

Molecular Formula
C11H10O3
SMILES
CC1=CC2=C(C=C1)C(=CO2)CC(=O)O
InChI
InChI=1S/C11H10O3/c1-7-2-3-9-8(5-11(12)13)6-14-10(9)4-7/h2-4,6H,5H2,1H3,(H,12,13)
InChIKey
ZGVSMROZRSOMIQ-UHFFFAOYSA-N
Compound name
2-(6-methyl-1-benzofuran-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

18
Patents

190.06299 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 136.9
[M+Na]+ 213.05221 147.3
[M-H]- 189.05571 141.8
[M+NH4]+ 208.09681 157.9
[M+K]+ 229.02615 145.6
[M+H-H2O]+ 173.06025 132.1
[M+HCOO]- 235.06119 160.3
[M+CH3COO]- 249.07684 180.3
[M+Na-2H]- 211.03766 143.6
[M]+ 190.06244 141.1
[M]- 190.06354 141.1
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

patents stripe