CID 217754

39567-23-2

Structural Information

Molecular Formula
C8H12N2OS
SMILES
CCC1CC(=O)N2CCSC2=N1
InChI
InChI=1S/C8H12N2OS/c1-2-6-5-7(11)10-3-4-12-8(10)9-6/h6H,2-5H2,1H3
InChIKey
MXUQQHNDCAKLIS-UHFFFAOYSA-N
Compound name
7-ethyl-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

184.06703 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07431 139.5
[M+Na]+ 207.05625 150.2
[M+NH4]+ 202.10085 148.6
[M+K]+ 223.03019 143.8
[M-H]- 183.05975 140.5
[M+Na-2H]- 205.04170 142.5
[M]+ 184.06648 141.6
[M]- 184.06758 141.6
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