CID 217756

39567-25-4

Structural Information

Molecular Formula

C₈H₁₂N₂OS

SMILES

CC1CC(=O)N2C(CSC2=N1)C

InChI

InChI=1S/C8H12N2OS/c1-5-3-7(11)10-6(2)4-12-8(10)9-5/h5-6H,3-4H2,1-2H3

InChIKey

KOHMOZRICFNCIM-UHFFFAOYSA-N

Compound name

3,7-dimethyl-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: 3
Patents: 184.06703 Da
Monoisotopic Mass: 0.7
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]+	185.07431	138.1
[M+Na]+	207.05625	147.8
[M-H]-	183.05975	140.3
[M+NH4]+	202.10085	159.4
[M+K]+	223.03019	145.3
[M+H-H2O]+	167.06429	132.4
[M+HCOO]-	229.06523	152.1
[M+CH3COO]-	243.08088	180.5
[M+Na-2H]-	205.04170	139.1
[M]+	184.06648	138.4
[M]-	184.06758	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe