CID 85824626

Dihydro-4,6-dimethyl-4h-1,3,5-dithiazine

Structural Information

Molecular Formula

C₅H₁₁NS₂

SMILES

CC1NC(SCS1)C

InChI

InChI=1S/C5H11NS2/c1-4-6-5(2)8-3-7-4/h4-6H,3H2,1-2H3

InChIKey

SORBXLXSXNAVRV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 149.0333 Da
Monoisotopic Mass: 2.0
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]+	150.040576	125.9
[M+Na]+	172.022518	132.8
[M-H]-	148.026024	126.3
[M+NH4]+	167.067123	146.0
[M+K]+	187.996458	129.2
[M+H-H2O]+	132.030560	120.8
[M+HCOO]-	194.031501	133.7
[M+CH3COO]-	208.047151	170.5
[M+Na-2H]-	170.007966	126.3
[M]+	149.03275142	122.3
[M]-	149.03384858	122.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.