CID 20986905

938225-46-8

Structural Information

Molecular Formula
C19H22O4
SMILES
CC1=CC(=CC(=C1)OCCOC2=CC=C(C=C2)CCC(=O)O)C
InChI
InChI=1S/C19H22O4/c1-14-11-15(2)13-18(12-14)23-10-9-22-17-6-3-16(4-7-17)5-8-19(20)21/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,20,21)
InChIKey
JJBUWKBLHZEARA-UHFFFAOYSA-N
Compound name
3-[4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1518 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15908 175.0
[M+Na]+ 337.14102 188.3
[M+NH4]+ 332.18562 181.8
[M+K]+ 353.11496 181.1
[M-H]- 313.14452 178.2
[M+Na-2H]- 335.12647 181.9
[M]+ 314.15125 177.8
[M]- 314.15235 177.8
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

No patent data available for this compound.