CID 3067459

81530-34-9

Structural Information

Molecular Formula

C₈H₁₂N₂OS

SMILES

CC1(CC(=O)N2CCSC2=N1)C

InChI

InChI=1S/C8H12N2OS/c1-8(2)5-6(11)10-3-4-12-7(10)9-8/h3-5H2,1-2H3

InChIKey

LWGCKOUYUHEORN-UHFFFAOYSA-N

Compound name

7,7-dimethyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 184.06703 Da
Monoisotopic Mass: 0.4
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	137.1
[M+Na]+	207.05625	146.8
[M-H]-	183.05975	139.2
[M+NH4]+	202.10085	160.2
[M+K]+	223.03019	144.6
[M+H-H2O]+	167.06429	131.8
[M+HCOO]-	229.06523	151.2
[M+CH3COO]-	243.08088	150.3
[M+Na-2H]-	205.04170	140.2
[M]+	184.06648	137.4
[M]-	184.06758	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe