CID 81319

2-butyl-4-methylphenol

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CCCCC1=C(C=CC(=C1)C)O

InChI

InChI=1S/C11H16O/c1-3-4-5-10-8-9(2)6-7-11(10)12/h6-8,12H,3-5H2,1-2H3

InChIKey

FEXBEKLLSUWSIM-UHFFFAOYSA-N

Compound name

2-butyl-4-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8069
Patents: 164.12012 Da
Monoisotopic Mass: 3.8
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]+	165.12740	136.0
[M+Na]+	187.10934	149.4
[M+NH4]+	182.15394	145.1
[M+K]+	203.08328	142.0
[M-H]-	163.11284	138.5
[M+Na-2H]-	185.09479	142.9
[M]+	164.11957	138.7
[M]-	164.12067	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe