CID 219683

4-phenoxybutan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C1=CC=C(C=C1)OCCCCO

InChI

InChI=1S/C10H14O2/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2

InChIKey

OYQUCYCSSADEIC-UHFFFAOYSA-N

Compound name

4-phenoxybutan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1183
Patents: 166.09938 Da
Monoisotopic Mass: 2.3
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]+	167.106656	135.5
[M+Na]+	189.088598	142.0
[M-H]-	165.092104	137.5
[M+NH4]+	184.133203	155.4
[M+K]+	205.062538	140.0
[M+H-H2O]+	149.096640	129.8
[M+HCOO]-	211.097581	158.8
[M+CH3COO]-	225.113231	175.7
[M+Na-2H]-	187.074046	142.7
[M]+	166.09883142	136.8
[M]-	166.09992858	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe