CID 3014087

4-tert-butylbenzene-1,3-diol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

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

InChI

InChI=1S/C10H14O2/c1-10(2,3)8-5-4-7(11)6-9(8)12/h4-6,11-12H,1-3H3

InChIKey

YBKODUYVZRLSOK-UHFFFAOYSA-N

Compound name

4-tert-butylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1009
Patents: 166.09938 Da
Monoisotopic Mass: 3.0
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]+	167.10666	135.6
[M+Na]+	189.08860	147.8
[M+NH4]+	184.13320	143.7
[M+K]+	205.06254	142.8
[M-H]-	165.09210	136.4
[M+Na-2H]-	187.07405	141.5
[M]+	166.09883	137.6
[M]-	166.09993	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe