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]+ 315.159076 174.4
[M+Na]+ 337.141018 180.7
[M-H]- 313.144524 179.6
[M+NH4]+ 332.185623 188.2
[M+K]+ 353.114958 177.2
[M+H-H2O]+ 297.149060 166.2
[M+HCOO]- 359.150001 195.5
[M+CH3COO]- 373.165651 206.1
[M+Na-2H]- 335.126466 175.9
[M]+ 314.15125142 178.9
[M]- 314.15234858 178.9
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.