CID 34757

29927-08-0

Structural Information

Molecular Formula

C₉H₁₀N₂S

SMILES

CC1=CC2=C(C=C1C)SC(=N2)N

InChI

InChI=1S/C9H10N2S/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H2,10,11)

InChIKey

IODWHFFPQHUDAG-UHFFFAOYSA-N

Compound name

5,6-dimethyl-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 232
Patents: 178.05647 Da
Monoisotopic Mass: 2.8
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]+	179.06375	134.8
[M+Na]+	201.04569	148.5
[M+NH4]+	196.09029	145.0
[M+K]+	217.01963	141.3
[M-H]-	177.04919	138.3
[M+Na-2H]-	199.03114	141.3
[M]+	178.05592	138.3
[M]-	178.05702	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe