CID 94243

3-phenyl-1-butanol

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC(CCO)C1=CC=CC=C1

InChI

InChI=1S/C10H14O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3

InChIKey

SQGBBDFDRHDJCJ-UHFFFAOYSA-N

Compound name

3-phenylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 657
Patents: 150.10446 Da
Monoisotopic Mass: 2.2
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