CID 11183862

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

Structural Information

Molecular Formula
C13H12O4
SMILES
CC1=CC2=C(C=C1)C(=C(O2)C(=O)C)CC(=O)O
InChI
InChI=1S/C13H12O4/c1-7-3-4-9-10(6-12(15)16)13(8(2)14)17-11(9)5-7/h3-5H,6H2,1-2H3,(H,15,16)
InChIKey
OKUHJKCNINJNLA-UHFFFAOYSA-N
Compound name
2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07356 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08084 148.3
[M+Na]+ 255.06278 160.8
[M+NH4]+ 250.10738 155.4
[M+K]+ 271.03672 158.2
[M-H]- 231.06628 150.1
[M+Na-2H]- 253.04823 152.1
[M]+ 232.07301 150.5
[M]- 232.07411 150.5
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

No patent data available for this compound.