CID 3039475

Af 381

Structural Information

Molecular Formula
C19H20O4
SMILES
CCC(C1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)CCC(=O)O
InChI
InChI=1S/C19H20O4/c1-2-17(23-19(22)13-12-18(20)21)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3,(H,20,21)
InChIKey
NPXARFWOZPFFSL-UHFFFAOYSA-N
Compound name
4-oxo-4-[1-(4-phenylphenyl)propoxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.13617 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14345 174.0
[M+Na]+ 335.12539 185.9
[M+NH4]+ 330.16999 180.2
[M+K]+ 351.09933 179.9
[M-H]- 311.12889 176.4
[M+Na-2H]- 333.11084 180.5
[M]+ 312.13562 176.2
[M]- 312.13672 176.2
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.