CID 13253394

79932-22-2

Structural Information

Molecular Formula

C₉H₁₄N₂S

SMILES

CC1(CCC2=C(C1)SC(=N2)N)C

InChI

InChI=1S/C9H14N2S/c1-9(2)4-3-6-7(5-9)12-8(10)11-6/h3-5H2,1-2H3,(H2,10,11)

InChIKey

XELVDVCUWODGKX-UHFFFAOYSA-N

Compound name

6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 182.08777 Da
Monoisotopic Mass: 2.5
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]+	183.09505	136.7
[M+Na]+	205.07699	145.9
[M-H]-	181.08049	139.8
[M+NH4]+	200.12159	160.8
[M+K]+	221.05093	142.8
[M+H-H2O]+	165.08503	131.8
[M+HCOO]-	227.08597	153.0
[M+CH3COO]-	241.10162	150.1
[M+Na-2H]-	203.06244	140.0
[M]+	182.08722	135.8
[M]-	182.08832	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe