CID 6984

2-sec-butylphenol

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CCC(C)C1=CC=CC=C1O

InChI

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

InChIKey

NGFPWHGISWUQOI-UHFFFAOYSA-N

Compound name

2-butan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 25
References: 5021
Patents: 150.10446 Da
Monoisotopic Mass: 3.4
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	132.2
[M+Na]+	173.09368	145.1
[M+NH4]+	168.13828	141.3
[M+K]+	189.06762	138.5
[M-H]-	149.09718	134.5
[M+Na-2H]-	171.07913	139.2
[M]+	150.10391	134.7
[M]-	150.10501	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe