CID 12518

Thialdine

Structural Information

Molecular Formula

C₆H₁₃NS₂

SMILES

CC1NC(SC(S1)C)C

InChI

InChI=1S/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3

InChIKey

FBMVFHKKLDGLJA-UHFFFAOYSA-N

Compound name

2,4,6-trimethyl-1,3,5-dithiazinane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 203
Patents: 163.04893 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]+	164.05621	131.6
[M+Na]+	186.03815	141.9
[M+NH4]+	181.08275	141.4
[M+K]+	202.01209	132.4
[M-H]-	162.04165	133.7
[M+Na-2H]-	184.02360	134.9
[M]+	163.04838	134.5
[M]-	163.04948	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe