CID 65669756

Akos015009250

Structural Information

Molecular Formula
C13H14O3
SMILES
CC(C)(C)C1=CC2=C(C=C1)OC=C2C(=O)O
InChI
InChI=1S/C13H14O3/c1-13(2,3)8-4-5-11-9(6-8)10(7-16-11)12(14)15/h4-7H,1-3H3,(H,14,15)
InChIKey
RAQNMENVEWQNFG-UHFFFAOYSA-N
Compound name
5-tert-butyl-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10158 145.9
[M+Na]+ 241.08352 158.6
[M+NH4]+ 236.12812 153.9
[M+K]+ 257.05746 155.7
[M-H]- 217.08702 148.0
[M+Na-2H]- 239.06897 150.8
[M]+ 218.09375 148.4
[M]- 218.09485 148.4
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.