CID 221206

Benzothiazole, 6-amino-2-isopropoxy

Structural Information

Molecular Formula

C₁₀H₁₂N₂OS

SMILES

CC(C)OC1=NC2=C(S1)C=C(C=C2)N

InChI

InChI=1S/C10H12N2OS/c1-6(2)13-10-12-8-4-3-7(11)5-9(8)14-10/h3-6H,11H2,1-2H3

InChIKey

UFARFOGOSPBRJT-UHFFFAOYSA-N

Compound name

2-propan-2-yloxy-1,3-benzothiazol-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 208.06703 Da
Monoisotopic Mass: 2.7
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]+	209.07431	142.4
[M+Na]+	231.05625	153.0
[M-H]-	207.05975	146.4
[M+NH4]+	226.10085	163.6
[M+K]+	247.03019	149.7
[M+H-H2O]+	191.06429	136.6
[M+HCOO]-	253.06523	162.0
[M+CH3COO]-	267.08088	187.2
[M+Na-2H]-	229.04170	145.7
[M]+	208.06648	146.6
[M]-	208.06758	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe