CID 65669529

5-(propan-2-yl)-1-benzofuran-3-carboxylic acid

Structural Information

Molecular Formula
C12H12O3
SMILES
CC(C)C1=CC2=C(C=C1)OC=C2C(=O)O
InChI
InChI=1S/C12H12O3/c1-7(2)8-3-4-11-9(5-8)10(6-15-11)12(13)14/h3-7H,1-2H3,(H,13,14)
InChIKey
NCJRTVAMEVMFCN-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 141.7
[M+Na]+ 227.06786 154.5
[M+NH4]+ 222.11246 149.9
[M+K]+ 243.04180 151.4
[M-H]- 203.07136 144.2
[M+Na-2H]- 225.05331 146.5
[M]+ 204.07809 144.2
[M]- 204.07919 144.2
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.