CID 19839124

70590-48-6

Structural Information

Molecular Formula

SMILES

C1CC2=C(C(=O)C1)N=CS2

InChI

InChI=1S/C7H7NOS/c9-5-2-1-3-6-7(5)8-4-10-6/h4H,1-3H2

InChIKey

ISBLAVGBVIOWID-UHFFFAOYSA-N

Compound name

6,7-dihydro-5H-1,3-benzothiazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 153.02484 Da
Monoisotopic Mass: 1.4
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]+	154.03212	129.0
[M+Na]+	176.01406	140.7
[M+NH4]+	171.05866	139.1
[M+K]+	191.98800	133.9
[M-H]-	152.01756	131.0
[M+Na-2H]-	173.99951	133.9
[M]+	153.02429	131.6
[M]-	153.02539	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe