CID 15045229

5-(4-tert-butylphenyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C15H16O3
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)O
InChI
InChI=1S/C15H16O3/c1-15(2,3)11-6-4-10(5-7-11)12-8-9-13(18-12)14(16)17/h4-9H,1-3H3,(H,16,17)
InChIKey
ZNNNCGUYJYUOCV-UHFFFAOYSA-N
Compound name
5-(4-tert-butylphenyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

244.10994 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 155.0
[M+Na]+ 267.09916 167.3
[M+NH4]+ 262.14376 162.4
[M+K]+ 283.07310 164.3
[M-H]- 243.10266 158.5
[M+Na-2H]- 265.08461 161.2
[M]+ 244.10939 157.8
[M]- 244.11049 157.8
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

patents stripe