CID 11830367

[4-(tert-butylsulfanyl)phenyl]methanol

Structural Information

Molecular Formula

C₁₁H₁₆OS

SMILES

CC(C)(C)SC1=CC=C(C=C1)CO

InChI

InChI=1S/C11H16OS/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3

InChIKey

FWIQXERLOIUQBV-UHFFFAOYSA-N

Compound name

(4-tert-butylsulfanylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 196.0922 Da
Monoisotopic Mass: 2.8
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]+	197.099476	143.1
[M+Na]+	219.081418	150.9
[M-H]-	195.084924	145.8
[M+NH4]+	214.126023	163.0
[M+K]+	235.055358	147.5
[M+H-H2O]+	179.089460	138.1
[M+HCOO]-	241.090401	159.0
[M+CH3COO]-	255.106051	181.4
[M+Na-2H]-	217.066866	146.5
[M]+	196.09165142	145.4
[M]-	196.09274858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe