CID 16769741

7-(hydroxymethyl)-3-methyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Structural Information

Molecular Formula

C₈H₈N₂O₂S

SMILES

CC1=CSC2=NC(=CC(=O)N12)CO

InChI

InChI=1S/C8H8N2O2S/c1-5-4-13-8-9-6(3-11)2-7(12)10(5)8/h2,4,11H,3H2,1H3

InChIKey

CFFHJFDYYKPWHN-UHFFFAOYSA-N

Compound name

7-(hydroxymethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.03065 Da
Monoisotopic Mass: -0.3
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]+	197.037926	136.4
[M+Na]+	219.019868	149.8
[M-H]-	195.023374	138.8
[M+NH4]+	214.064473	157.0
[M+K]+	234.993808	145.8
[M+H-H2O]+	179.027910	131.0
[M+HCOO]-	241.028851	154.9
[M+CH3COO]-	255.044501	150.9
[M+Na-2H]-	217.005316	140.9
[M]+	196.03010142	142.0
[M]-	196.03119858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.