CID 96201

788-57-8

Structural Information

Molecular Formula

C₁₇H₁₈O₂

SMILES

C1CCC(C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C17H18O2/c18-15-7-3-13(4-8-15)17(11-1-2-12-17)14-5-9-16(19)10-6-14/h3-10,18-19H,1-2,11-12H2

InChIKey

OVVCSFQRAXVPGT-UHFFFAOYSA-N

Compound name

4-[1-(4-hydroxyphenyl)cyclopentyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 7722
Patents: 254.13068 Da
Monoisotopic Mass: 4.9
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]+	255.137956	159.1
[M+Na]+	277.119898	165.7
[M-H]-	253.123404	166.4
[M+NH4]+	272.164503	178.1
[M+K]+	293.093838	160.4
[M+H-H2O]+	237.127940	152.3
[M+HCOO]-	299.128881	179.3
[M+CH3COO]-	313.144531	170.8
[M+Na-2H]-	275.105346	162.1
[M]+	254.13013142	154.9
[M]-	254.13122858	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe