CID 3067455

7-t-butyl-5-oxo-2,3,6,7-tetrahydro-5h-thiazolo(3,2-a)pyrimidine

Structural Information

Molecular Formula
C10H16N2OS
SMILES
CC(C)(C)C1CC(=O)N2CCSC2=N1
InChI
InChI=1S/C10H16N2OS/c1-10(2,3)7-6-8(13)12-4-5-14-9(12)11-7/h7H,4-6H2,1-3H3
InChIKey
WSRFVQRLBOONBF-UHFFFAOYSA-N
Compound name
7-tert-butyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

212.09833 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10561 149.1
[M+Na]+ 235.08755 159.1
[M+NH4]+ 230.13215 157.7
[M+K]+ 251.06149 153.5
[M-H]- 211.09105 149.4
[M+Na-2H]- 233.07300 151.6
[M]+ 212.09778 151.0
[M]- 212.09888 151.0
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

patents stripe