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 157.4
[M-H]- 211.09105 150.9
[M+NH4]+ 230.13215 169.2
[M+K]+ 251.06149 155.0
[M+H-H2O]+ 195.09559 143.4
[M+HCOO]- 257.09653 160.9
[M+CH3COO]- 271.11218 185.1
[M+Na-2H]- 233.07300 150.5
[M]+ 212.09778 149.1
[M]- 212.09888 149.1
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