CID 3067458

6-methyl-2,3,6,7-tetrahydro-5h-thiazolo(3,2-a)pyrimidin-5-one

Structural Information

Molecular Formula
C7H10N2OS
SMILES
CC1CN=C2N(C1=O)CCS2
InChI
InChI=1S/C7H10N2OS/c1-5-4-8-7-9(6(5)10)2-3-11-7/h5H,2-4H2,1H3
InChIKey
LYZFTWQNSRDSKK-UHFFFAOYSA-N
Compound name
6-methyl-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

170.05139 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.058666 133.8
[M+Na]+ 193.040608 143.1
[M-H]- 169.044114 135.8
[M+NH4]+ 188.085213 155.4
[M+K]+ 209.014548 140.9
[M+H-H2O]+ 153.048650 128.0
[M+HCOO]- 215.049591 148.2
[M+CH3COO]- 229.065241 147.0
[M+Na-2H]- 191.026056 135.9
[M]+ 170.05084142 133.4
[M]- 170.05193858 133.4
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