CID 79845

5-tert-butyl-2-methylphenol

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CC1=C(C=C(C=C1)C(C)(C)C)O

InChI

InChI=1S/C11H16O/c1-8-5-6-9(7-10(8)12)11(2,3)4/h5-7,12H,1-4H3

InChIKey

FLSBACIXSFRPLT-UHFFFAOYSA-N

Compound name

5-tert-butyl-2-methylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 288
Patents: 164.12012 Da
Monoisotopic Mass: 3.6
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	136.5
[M+Na]+	187.10934	149.7
[M+NH4]+	182.15394	145.4
[M+K]+	203.08328	143.5
[M-H]-	163.11284	138.4
[M+Na-2H]-	185.09479	143.3
[M]+	164.11957	139.1
[M]-	164.12067	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe