CID 95372

1-phenyl-1-butanol

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CCCC(C1=CC=CC=C1)O

InChI

InChI=1S/C10H14O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8,10-11H,2,6H2,1H3

InChIKey

HQRWWHIETAKIMO-UHFFFAOYSA-N

Compound name

1-phenylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1976
Patents: 150.10446 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]+	151.11174	132.7
[M+Na]+	173.09368	145.2
[M+NH4]+	168.13828	141.8
[M+K]+	189.06762	138.5
[M-H]-	149.09718	135.0
[M+Na-2H]-	171.07913	139.9
[M]+	150.10391	135.1
[M]-	150.10501	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe