CID 198224

Bht-sch3

Structural Information

Molecular Formula

C₁₆H₂₆OS

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSC

InChI

InChI=1S/C16H26OS/c1-15(2,3)12-8-11(10-18-7)9-13(14(12)17)16(4,5)6/h8-9,17H,10H2,1-7H3

InChIKey

YNDWYCVIIYXSKS-UHFFFAOYSA-N

Compound name

2,6-ditert-butyl-4-(methylsulfanylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 266.17044 Da
Monoisotopic Mass: 5.4
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]+	267.17772	163.4
[M+Na]+	289.15966	171.0
[M-H]-	265.16316	166.1
[M+NH4]+	284.20426	181.1
[M+K]+	305.13360	167.1
[M+H-H2O]+	249.16770	158.4
[M+HCOO]-	311.16864	176.0
[M+CH3COO]-	325.18429	198.6
[M+Na-2H]-	287.14511	164.1
[M]+	266.16989	167.6
[M]-	266.17099	167.6

Literature stripe

literature stripe

Patent stripe

patents stripe