CID 16494948

885279-75-4

Structural Information

Molecular Formula

C₁₁H₁₁NO₂S

SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)CO

InChI

InChI=1S/C11H11NO2S/c1-14-10-4-2-8(3-5-10)11-12-9(6-13)7-15-11/h2-5,7,13H,6H2,1H3

InChIKey

VFSRWAISOVFLJP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 221.05106 Da
Monoisotopic Mass: 1.7
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]+	222.058336	145.9
[M+Na]+	244.040278	155.7
[M-H]-	220.043784	151.0
[M+NH4]+	239.084883	165.0
[M+K]+	260.014218	151.9
[M+H-H2O]+	204.048320	139.5
[M+HCOO]-	266.049261	164.8
[M+CH3COO]-	280.064911	183.0
[M+Na-2H]-	242.025726	148.0
[M]+	221.05051142	149.4
[M]-	221.05160858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe