CID 13670690

104617-50-7

Structural Information

Molecular Formula

C₉H₁₃N₃OS

SMILES

CC(=O)NC1CCC2=C(C1)SC(=N2)N

InChI

InChI=1S/C9H13N3OS/c1-5(13)11-6-2-3-7-8(4-6)14-9(10)12-7/h6H,2-4H2,1H3,(H2,10,12)(H,11,13)

InChIKey

QXKCTWPNUINDQK-UHFFFAOYSA-N

Compound name

N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 211.07793 Da
Monoisotopic Mass: 0.7
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]+	212.08521	144.1
[M+Na]+	234.06715	152.4
[M+NH4]+	229.11175	152.5
[M+K]+	250.04109	147.4
[M-H]-	210.07065	146.1
[M+Na-2H]-	232.05260	147.2
[M]+	211.07738	145.9
[M]-	211.07848	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe