CID 16494955

36093-97-7

Structural Information

Molecular Formula

C₁₁H₁₁NOS

SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CO

InChI

InChI=1S/C11H11NOS/c1-8-2-4-9(5-3-8)11-12-10(6-13)7-14-11/h2-5,7,13H,6H2,1H3

InChIKey

MUQRQDVYECSELB-UHFFFAOYSA-N

Compound name

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 205.05614 Da
Monoisotopic Mass: 2.1
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]+	206.06342	143.5
[M+Na]+	228.04536	157.0
[M+NH4]+	223.08996	152.9
[M+K]+	244.01930	149.6
[M-H]-	204.04886	147.2
[M+Na-2H]-	226.03081	151.2
[M]+	205.05559	147.0
[M]-	205.05669	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe