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]+ 247.096476 153.0
[M+Na]+ 269.078418 161.8
[M-H]- 245.081924 160.0
[M+NH4]+ 264.123023 170.5
[M+K]+ 285.052358 160.3
[M+H-H2O]+ 229.086460 147.0
[M+HCOO]- 291.087401 175.9
[M+CH3COO]- 305.103051 191.1
[M+Na-2H]- 267.063866 155.9
[M]+ 246.08865142 157.3
[M]- 246.08974858 157.3
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.