CID 580500

402745-78-2

Structural Information

Molecular Formula
C16H18O4
SMILES
CCC(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O
InChI
InChI=1S/C16H18O4/c1-3-11(2)12-4-6-13(7-5-12)19-10-14-8-9-15(20-14)16(17)18/h4-9,11H,3,10H2,1-2H3,(H,17,18)
InChIKey
FAKSOKPXLBLQNV-UHFFFAOYSA-N
Compound name
5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

274.1205 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12778 163.2
[M+Na]+ 297.10972 174.7
[M+NH4]+ 292.15432 169.9
[M+K]+ 313.08366 171.5
[M-H]- 273.11322 166.5
[M+Na-2H]- 295.09517 168.3
[M]+ 274.11995 165.6
[M]- 274.12105 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.