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]+ 171.05867 133.8
[M+Na]+ 193.04061 143.1
[M-H]- 169.04411 135.8
[M+NH4]+ 188.08521 155.4
[M+K]+ 209.01455 140.9
[M+H-H2O]+ 153.04865 128.0
[M+HCOO]- 215.04959 148.2
[M+CH3COO]- 229.06524 147.0
[M+Na-2H]- 191.02606 135.9
[M]+ 170.05084 133.4
[M]- 170.05194 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