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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01720 139.1
[M+Na]+ 232.99914 152.1
[M-H]- 209.00264 141.6
[M+NH4]+ 228.04374 158.8
[M+K]+ 248.97308 148.6
[M+H-H2O]+ 193.00718 133.7
[M+HCOO]- 255.00812 156.9
[M+CH3COO]- 269.02377 181.0
[M+Na-2H]- 230.98459 142.7
[M]+ 210.00937 144.8
[M]- 210.01047 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe