CID 197828

Thialdin hcl

Structural Information

Molecular Formula

C₆H₁₁NS₂

SMILES

CC1N=C(SC(S1)C)C

InChI

InChI=1S/C6H11NS2/c1-4-7-5(2)9-6(3)8-4/h4,6H,1-3H3

InChIKey

NFYXFXOCHNOCMZ-UHFFFAOYSA-N

Compound name

2,4,6-trimethyl-4H-1,3,5-dithiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 161.0333 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]+	162.040576	127.5
[M+Na]+	184.022518	136.2
[M-H]-	160.026024	129.9
[M+NH4]+	179.067123	148.2
[M+K]+	199.996458	133.1
[M+H-H2O]+	144.030560	122.1
[M+HCOO]-	206.031501	137.7
[M+CH3COO]-	220.047151	176.8
[M+Na-2H]-	182.007966	128.0
[M]+	161.03275142	127.7
[M]-	161.03384858	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe