CID 918861

2-methyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula

C₈H₆N₂O₃S

SMILES

CC1=CN2C(=O)C(=CN=C2S1)C(=O)O

InChI

InChI=1S/C8H6N2O3S/c1-4-3-10-6(11)5(7(12)13)2-9-8(10)14-4/h2-3H,1H3,(H,12,13)

InChIKey

UPPPMRSHTNROCH-UHFFFAOYSA-N

Compound name

2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 210.00992 Da
Monoisotopic Mass: 0.8
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]+	211.017196	139.1
[M+Na]+	232.999138	152.1
[M-H]-	209.002644	141.6
[M+NH4]+	228.043743	158.8
[M+K]+	248.973078	148.6
[M+H-H2O]+	193.007180	133.7
[M+HCOO]-	255.008121	156.9
[M+CH3COO]-	269.023771	181.0
[M+Na-2H]-	230.984586	142.7
[M]+	210.00937142	144.8
[M]-	210.01046858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe