CID 71587382

4-isobutyl-2,6-dimethyl-1,3,5-dithiazinane

Structural Information

Molecular Formula

C₉H₁₉NS₂

SMILES

CC1NC(SC(S1)C)CC(C)C

InChI

InChI=1S/C9H19NS2/c1-6(2)5-9-10-7(3)11-8(4)12-9/h6-10H,5H2,1-4H3

InChIKey

TWYULKMKVIUSSQ-UHFFFAOYSA-N

Compound name

2,4-dimethyl-6-(2-methylpropyl)-1,3,5-dithiazinane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4
Patents: 205.09589 Da
Monoisotopic Mass: 3.8
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]+	206.10317	144.1
[M+Na]+	228.08511	153.4
[M+NH4]+	223.12971	153.2
[M+K]+	244.05905	144.1
[M-H]-	204.08861	145.8
[M+Na-2H]-	226.07056	146.4
[M]+	205.09534	146.7
[M]-	205.09644	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe