CID 43835

61888-56-0

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: 1
Patents: 270.12558 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	271.13286	162.5
[M+Na]+	293.11480	169.0
[M-H]-	269.11830	167.7
[M+NH4]+	288.15940	178.0
[M+K]+	309.08874	165.2
[M+H-H2O]+	253.12284	154.8
[M+HCOO]-	315.12378	184.2
[M+CH3COO]-	329.13943	196.9
[M+Na-2H]-	291.10025	165.8
[M]+	270.12503	164.5
[M]-	270.12613	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe