CID 217755

39567-24-3

Structural Information

Molecular Formula

C₉H₁₂N₂OS

SMILES

C1CC1C2CC(=O)N3CCSC3=N2

InChI

InChI=1S/C9H12N2OS/c12-8-5-7(6-1-2-6)10-9-11(8)3-4-13-9/h6-7H,1-5H2

InChIKey

KWSDHCVRIXUROV-UHFFFAOYSA-N

Compound name

7-cyclopropyl-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: 2
Patents: 196.06703 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	197.07431	144.3
[M+Na]+	219.05625	154.4
[M-H]-	195.05975	149.6
[M+NH4]+	214.10085	159.6
[M+K]+	235.03019	150.4
[M+H-H2O]+	179.06429	137.4
[M+HCOO]-	241.06523	158.4
[M+CH3COO]-	255.08088	156.3
[M+Na-2H]-	217.04170	145.4
[M]+	196.06648	145.4
[M]-	196.06758	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe