CID 84396

14372-64-6

Structural Information

Molecular Formula

C₁₀H₁₂N₂OS

SMILES

CCCOC1=CC2=C(C=C1)N=C(S2)N

InChI

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

InChIKey

QJWBDYBQSKYQKM-UHFFFAOYSA-N

Compound name

6-propoxy-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 208.06703 Da
Monoisotopic Mass: 3.3
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]+	209.074306	141.6
[M+Na]+	231.056248	152.6
[M-H]-	207.059754	145.5
[M+NH4]+	226.100853	162.9
[M+K]+	247.030188	148.7
[M+H-H2O]+	191.064290	135.6
[M+HCOO]-	253.065231	162.2
[M+CH3COO]-	267.080881	186.3
[M+Na-2H]-	229.041696	146.0
[M]+	208.06648142	146.4
[M]-	208.06757858	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe