CID 3067459

81530-34-9

Structural Information

Molecular Formula
C8H12N2OS
SMILES
CC1(CC(=O)N2CCSC2=N1)C
InChI
InChI=1S/C8H12N2OS/c1-8(2)5-6(11)10-3-4-12-7(10)9-8/h3-5H2,1-2H3
InChIKey
LWGCKOUYUHEORN-UHFFFAOYSA-N
Compound name
7,7-dimethyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

184.06703 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.074306 137.1
[M+Na]+ 207.056248 146.8
[M-H]- 183.059754 139.2
[M+NH4]+ 202.100853 160.2
[M+K]+ 223.030188 144.6
[M+H-H2O]+ 167.064290 131.8
[M+HCOO]- 229.065231 151.2
[M+CH3COO]- 243.080881 150.3
[M+Na-2H]- 205.041696 140.2
[M]+ 184.06648142 137.4
[M]- 184.06757858 137.4
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