CID 7231

95-32-9

Structural Information

Molecular Formula

C₁₁H₁₂N₂OS₃

SMILES

C1COCCN1SSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C11H12N2OS3/c1-2-4-10-9(3-1)12-11(15-10)16-17-13-5-7-14-8-6-13/h1-4H,5-8H2

InChIKey

QRYFCNPYGUORTK-UHFFFAOYSA-N

Compound name

4-(1,3-benzothiazol-2-yldisulfanyl)morpholine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 3628
Patents: 284.01117 Da
Monoisotopic Mass: 3.1
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]+	285.01845	150.6
[M+Na]+	307.00039	163.2
[M+NH4]+	302.04499	160.8
[M+K]+	322.97433	152.6
[M-H]-	283.00389	156.2
[M+Na-2H]-	304.98584	156.1
[M]+	284.01062	155.5
[M]-	284.01172	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe