CID 135454198

224313-88-6

Structural Information

Molecular Formula

C₈H₆N₂O₄S

SMILES

COC(=O)C1=C(N=C2N(C1=O)C=CS2)O

InChI

InChI=1S/C8H6N2O4S/c1-14-7(13)4-5(11)9-8-10(6(4)12)2-3-15-8/h2-3,11H,1H3

InChIKey

JXSKXPJOBSNLGP-UHFFFAOYSA-N

Compound name

methyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 226.00482 Da
Monoisotopic Mass: 0.6
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]+	227.01210	145.4
[M+Na]+	248.99404	157.7
[M+NH4]+	244.03864	152.1
[M+K]+	264.96798	153.4
[M-H]-	224.99754	144.7
[M+Na-2H]-	246.97949	149.2
[M]+	226.00427	147.2
[M]-	226.00537	147.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.