CID 59419388

(4-chloro-2-(methylthio)pyrimidin-5-yl)methanol

Structural Information

Molecular Formula

C₆H₇ClN₂OS

SMILES

CSC1=NC=C(C(=N1)Cl)CO

InChI

InChI=1S/C6H7ClN2OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2,10H,3H2,1H3

InChIKey

ADJUHOQFENGHSW-UHFFFAOYSA-N

Compound name

(4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 192
Patents: 189.99677 Da
Monoisotopic Mass: 1.1
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]+	191.00405	136.3
[M+Na]+	212.98599	150.3
[M+NH4]+	208.03059	144.9
[M+K]+	228.95993	141.7
[M-H]-	188.98949	137.4
[M+Na-2H]-	210.97144	142.4
[M]+	189.99622	139.3
[M]-	189.99732	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe