CID 3057197

Alpha-(p-methylthiophenyl)-1-imidazoleethanol

Structural Information

Molecular Formula

C₁₂H₁₄N₂OS

SMILES

CSC1=CC=C(C=C1)C(CN2C=CN=C2)O

InChI

InChI=1S/C12H14N2OS/c1-16-11-4-2-10(3-5-11)12(15)8-14-7-6-13-9-14/h2-7,9,12,15H,8H2,1H3

InChIKey

UXPKQVHJINQFMF-UHFFFAOYSA-N

Compound name

2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 234.08269 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]+	235.089966	151.2
[M+Na]+	257.071908	159.6
[M-H]-	233.075414	154.5
[M+NH4]+	252.116513	168.2
[M+K]+	273.045848	155.5
[M+H-H2O]+	217.079950	143.8
[M+HCOO]-	279.080891	167.3
[M+CH3COO]-	293.096541	186.4
[M+Na-2H]-	255.057356	152.3
[M]+	234.08214142	153.2
[M]-	234.08323858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe