CID 217755

39567-24-3

Structural Information

Molecular Formula
C9H12N2OS
SMILES
C1CC1C2CC(=O)N3CCSC3=N2
InChI
InChI=1S/C9H12N2OS/c12-8-5-7(6-1-2-6)10-9-11(8)3-4-13-9/h6-7H,1-5H2
InChIKey
KWSDHCVRIXUROV-UHFFFAOYSA-N
Compound name
7-cyclopropyl-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

3
Patents

196.06703 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 144.3
[M+Na]+ 219.056248 154.4
[M-H]- 195.059754 149.6
[M+NH4]+ 214.100853 159.6
[M+K]+ 235.030188 150.4
[M+H-H2O]+ 179.064290 137.4
[M+HCOO]- 241.065231 158.4
[M+CH3COO]- 255.080881 156.3
[M+Na-2H]- 217.041696 145.4
[M]+ 196.06648142 145.4
[M]- 196.06757858 145.4
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