CID 7015948

869950-23-2

Structural Information

Molecular Formula
C14H14O4
SMILES
CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)O)C
InChI
InChI=1S/C14H14O4/c1-9-3-5-12(10(2)7-9)17-8-11-4-6-13(18-11)14(15)16/h3-7H,8H2,1-2H3,(H,15,16)
InChIKey
KZDVFUFFQYJIED-UHFFFAOYSA-N
Compound name
5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 153.8
[M+Na]+ 269.07842 166.5
[M+NH4]+ 264.12302 161.1
[M+K]+ 285.05236 163.2
[M-H]- 245.08192 157.5
[M+Na-2H]- 267.06387 159.6
[M]+ 246.08865 156.6
[M]- 246.08975 156.6
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.