CID 51361

Brn 1385069

Structural Information

Molecular Formula
C12H10O5
SMILES
CC1=C(C2=C(O1)C=CC=C2OC(=O)C)C(=O)O
InChI
InChI=1S/C12H10O5/c1-6-10(12(14)15)11-8(16-6)4-3-5-9(11)17-7(2)13/h3-5H,1-2H3,(H,14,15)
InChIKey
MFEFQHDRBJASTP-UHFFFAOYSA-N
Compound name
4-acetyloxy-2-methyl-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.05283 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06011 147.0
[M+Na]+ 257.04205 159.1
[M+NH4]+ 252.08665 153.6
[M+K]+ 273.01599 157.3
[M-H]- 233.04555 148.2
[M+Na-2H]- 255.02750 150.5
[M]+ 234.05228 148.9
[M]- 234.05338 148.9
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.