CID 12546773

3-tert-butoxyphenol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(C)(C)OC1=CC=CC(=C1)O

InChI

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

InChIKey

ZTMXCTDRYVPSDS-UHFFFAOYSA-N

Compound name

3-[(2-methylpropan-2-yl)oxy]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 231
Patents: 166.09938 Da
Monoisotopic Mass: 2.6
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]+	167.10666	135.1
[M+Na]+	189.08860	143.2
[M-H]-	165.09210	137.9
[M+NH4]+	184.13320	155.6
[M+K]+	205.06254	141.7
[M+H-H2O]+	149.09664	130.4
[M+HCOO]-	211.09758	156.9
[M+CH3COO]-	225.11323	176.5
[M+Na-2H]-	187.07405	142.4
[M]+	166.09883	136.3
[M]-	166.09993	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe