CID 3067453

81530-26-9

Structural Information

Molecular Formula

C₉H₁₄N₂OS

SMILES

CC(C)C1CC(=O)N2CCSC2=N1

InChI

InChI=1S/C9H14N2OS/c1-6(2)7-5-8(12)11-3-4-13-9(11)10-7/h6-7H,3-5H2,1-2H3

InChIKey

ATTZFEAZGKLKQV-UHFFFAOYSA-N

Compound name

7-propan-2-yl-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: 1.2
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	142.9
[M+Na]+	221.07191	151.0
[M-H]-	197.07541	144.7
[M+NH4]+	216.11651	163.3
[M+K]+	237.04585	148.8
[M+H-H2O]+	181.07995	136.9
[M+HCOO]-	243.08089	155.6
[M+CH3COO]-	257.09654	183.2
[M+Na-2H]-	219.05736	143.0
[M]+	198.08214	142.6
[M]-	198.08324	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe