CID 22116405

5-(4-biphenylyl)valeric acid

Structural Information

Molecular Formula
C17H18O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC(=O)O
InChI
InChI=1S/C17H18O2/c18-17(19)9-5-4-6-14-10-12-16(13-11-14)15-7-2-1-3-8-15/h1-3,7-8,10-13H,4-6,9H2,(H,18,19)
InChIKey
RWKWHHLDSGRVAR-UHFFFAOYSA-N
Compound name
5-(4-phenylphenyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

254.13068 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13796 160.5
[M+Na]+ 277.11990 174.6
[M+NH4]+ 272.16450 168.9
[M+K]+ 293.09384 166.3
[M-H]- 253.12340 164.7
[M+Na-2H]- 275.10535 169.3
[M]+ 254.13013 163.8
[M]- 254.13123 163.8
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

patents stripe