CID 15283

2-phenylbutan-2-ol

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CCC(C)(C1=CC=CC=C1)O

InChI

InChI=1S/C10H14O/c1-3-10(2,11)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3

InChIKey

XGLHYBVJPSZXIF-UHFFFAOYSA-N

Compound name

2-phenylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2794
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	145.3
[M+NH4]+	168.13828	141.8
[M+K]+	189.06762	139.0
[M-H]-	149.09718	134.6
[M+Na-2H]-	171.07913	140.2
[M]+	150.10391	135.1
[M]-	150.10501	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe