CID 18515

2-butylphenol

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CCCCC1=CC=CC=C1O

InChI

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

InChIKey

GJYCVCVHRSWLNY-UHFFFAOYSA-N

Compound name

2-butylphenol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 48587
Patents: 150.10446 Da
Monoisotopic Mass: 3.5
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]+	151.111736	131.7
[M+Na]+	173.093678	139.2
[M-H]-	149.097184	134.1
[M+NH4]+	168.138283	152.6
[M+K]+	189.067618	136.8
[M+H-H2O]+	133.101720	126.5
[M+HCOO]-	195.102661	154.7
[M+CH3COO]-	209.118311	174.9
[M+Na-2H]-	171.079126	138.3
[M]+	150.10391142	131.9
[M]-	150.10500858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe