CID 79983

2,5-di-tert-butylphenol

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

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

InChI

InChI=1S/C14H22O/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9,15H,1-6H3

InChIKey

KDBZVULQVCUNNA-UHFFFAOYSA-N

Compound name

2,5-ditert-butylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1898
Patents: 206.16707 Da
Monoisotopic Mass: 4.9
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]+	207.17435	150.6
[M+Na]+	229.15629	162.8
[M+NH4]+	224.20089	158.7
[M+K]+	245.13023	157.2
[M-H]-	205.15979	151.7
[M+Na-2H]-	227.14174	156.5
[M]+	206.16652	152.9
[M]-	206.16762	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe