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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03793 136.4
[M+Na]+ 219.01987 149.8
[M-H]- 195.02337 138.8
[M+NH4]+ 214.06447 157.0
[M+K]+ 234.99381 145.8
[M+H-H2O]+ 179.02791 131.0
[M+HCOO]- 241.02885 154.9
[M+CH3COO]- 255.04450 150.9
[M+Na-2H]- 217.00532 140.9
[M]+ 196.03010 142.0
[M]- 196.03120 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.