CID 43835

5-propoxy-3-biphenylacetic acid

Structural Information

Molecular Formula
C17H18O3
SMILES
CCCOC1=CC(=CC(=C1)C2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C17H18O3/c1-2-8-20-16-10-13(11-17(18)19)9-15(12-16)14-6-4-3-5-7-14/h3-7,9-10,12H,2,8,11H2,1H3,(H,18,19)
InChIKey
ADRLSZAQHXDOME-UHFFFAOYSA-N
Compound name
2-(3-phenyl-5-propoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.12558 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.132856 162.5
[M+Na]+ 293.114798 169.0
[M-H]- 269.118304 167.7
[M+NH4]+ 288.159403 178.0
[M+K]+ 309.088738 165.2
[M+H-H2O]+ 253.122840 154.8
[M+HCOO]- 315.123781 184.2
[M+CH3COO]- 329.139431 196.9
[M+Na-2H]- 291.100246 165.8
[M]+ 270.12503142 164.5
[M]- 270.12612858 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe