CID 79337

4,6-di-tert-butylresorcinol

Structural Information

Molecular Formula

C₁₄H₂₂O₂

SMILES

CC(C)(C)C1=CC(=C(C=C1O)O)C(C)(C)C

InChI

InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8,15-16H,1-6H3

InChIKey

KJFMXIXXYWHFAN-UHFFFAOYSA-N

Compound name

4,6-ditert-butylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 720
Patents: 222.16199 Da
Monoisotopic Mass: 4.6
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]+	223.16927	153.7
[M+Na]+	245.15121	165.2
[M+NH4]+	240.19581	160.8
[M+K]+	261.12515	160.6
[M-H]-	221.15471	153.8
[M+Na-2H]-	243.13666	158.3
[M]+	222.16144	155.5
[M]-	222.16254	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe