CID 54216650

[4-(propan-2-ylsulfanyl)phenyl]methanol

Structural Information

Molecular Formula

C₁₀H₁₄OS

SMILES

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

InChI

InChI=1S/C10H14OS/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3

InChIKey

PZQQNGZEYAUQAA-UHFFFAOYSA-N

Compound name

(4-propan-2-ylsulfanylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 182.07654 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]+	183.083816	138.0
[M+Na]+	205.065758	145.4
[M-H]-	181.069264	140.6
[M+NH4]+	200.110363	158.2
[M+K]+	221.039698	142.3
[M+H-H2O]+	165.073800	132.7
[M+HCOO]-	227.074741	154.7
[M+CH3COO]-	241.090391	179.5
[M+Na-2H]-	203.051206	140.1
[M]+	182.07599142	139.8
[M]-	182.07708858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe