CID 20585832

4-(cyclopentyloxy)phenol

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

C1CCC(C1)OC2=CC=C(C=C2)O

InChI

InChI=1S/C11H14O2/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5-8,10,12H,1-4H2

InChIKey

UIAXNHPMQPVTAM-UHFFFAOYSA-N

Compound name

4-cyclopentyloxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 178.09938 Da
Monoisotopic Mass: 2.8
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]+	179.106656	137.9
[M+Na]+	201.088598	144.1
[M-H]-	177.092104	143.0
[M+NH4]+	196.133203	158.9
[M+K]+	217.062538	141.7
[M+H-H2O]+	161.096640	131.9
[M+HCOO]-	223.097581	160.2
[M+CH3COO]-	237.113231	176.2
[M+Na-2H]-	199.074046	142.0
[M]+	178.09883142	135.2
[M]-	178.09992858	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe