CID 13416

4-tert-butylbenzyl alcohol

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CC(C)(C)C1=CC=C(C=C1)CO

InChI

InChI=1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3

InChIKey

FVEINXLJOJPHLH-UHFFFAOYSA-N

Compound name

(4-tert-butylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1825
Patents: 164.12012 Da
Monoisotopic Mass: 2.9
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	136.9
[M+Na]+	187.10934	149.7
[M+NH4]+	182.15394	145.8
[M+K]+	203.08328	143.3
[M-H]-	163.11284	138.8
[M+Na-2H]-	185.09479	143.9
[M]+	164.11957	139.4
[M]-	164.12067	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe