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]+ 313.143446 174.2
[M+Na]+ 335.125388 178.5
[M-H]- 311.128894 178.8
[M+NH4]+ 330.169993 187.3
[M+K]+ 351.099328 175.4
[M+H-H2O]+ 295.133430 166.0
[M+HCOO]- 357.134371 193.5
[M+CH3COO]- 371.150021 204.1
[M+Na-2H]- 333.110836 174.7
[M]+ 312.13562142 175.8
[M]- 312.13671858 175.8
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.