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

7
Patents

184.06703 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.074306 138.2
[M+Na]+ 207.056248 147.1
[M-H]- 183.059754 140.0
[M+NH4]+ 202.100853 159.3
[M+K]+ 223.030188 144.6
[M+H-H2O]+ 167.064290 132.2
[M+HCOO]- 229.065231 152.3
[M+CH3COO]- 243.080881 179.4
[M+Na-2H]- 205.041696 139.8
[M]+ 184.06648142 138.1
[M]- 184.06757858 138.1
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