CID 217754

39567-23-2

Structural Information

Molecular Formula

C₈H₁₂N₂OS

SMILES

CCC1CC(=O)N2CCSC2=N1

InChI

InChI=1S/C8H12N2OS/c1-2-6-5-7(11)10-3-4-12-8(10)9-6/h6H,2-5H2,1H3

InChIKey

MXUQQHNDCAKLIS-UHFFFAOYSA-N

Compound name

7-ethyl-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: 6
Patents: 184.06703 Da
Monoisotopic Mass: 0.8
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	138.2
[M+Na]+	207.05625	147.1
[M-H]-	183.05975	140.0
[M+NH4]+	202.10085	159.3
[M+K]+	223.03019	144.6
[M+H-H2O]+	167.06429	132.2
[M+HCOO]-	229.06523	152.3
[M+CH3COO]-	243.08088	179.4
[M+Na-2H]-	205.04170	139.8
[M]+	184.06648	138.1
[M]-	184.06758	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe