CID 3067454

81530-27-0

Structural Information

Molecular Formula

C₉H₁₄N₂OS

SMILES

CCCC1CC(=O)N2CCSC2=N1

InChI

InChI=1S/C9H14N2OS/c1-2-3-7-6-8(12)11-4-5-13-9(11)10-7/h7H,2-6H2,1H3

InChIKey

AQMZZOMMIKTLFH-UHFFFAOYSA-N

Compound name

7-propyl-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: 198.08269 Da
Monoisotopic Mass: 1.1
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]+	199.08997	142.6
[M+Na]+	221.07191	151.0
[M-H]-	197.07541	144.2
[M+NH4]+	216.11651	163.1
[M+K]+	237.04585	148.3
[M+H-H2O]+	181.07995	136.4
[M+HCOO]-	243.08089	156.3
[M+CH3COO]-	257.09654	182.4
[M+Na-2H]-	219.05736	143.7
[M]+	198.08214	142.9
[M]-	198.08324	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe