CID 10788

Dazomet

Structural Information

Molecular Formula

C₅H₁₀N₂S₂

SMILES

CN1CN(C(=S)SC1)C

InChI

InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3

InChIKey

QAYICIQNSGETAS-UHFFFAOYSA-N

Compound name

3,5-dimethyl-1,3,5-thiadiazinane-2-thione

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 68
References: 26009
Patents: 162.02853 Da
Monoisotopic Mass: 1.3
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]+	163.03581	128.7
[M+Na]+	185.01775	137.3
[M-H]-	161.02125	129.5
[M+NH4]+	180.06235	147.9
[M+K]+	200.99169	133.9
[M+H-H2O]+	145.02579	122.9
[M+HCOO]-	207.02673	136.9
[M+CH3COO]-	221.04238	176.0
[M+Na-2H]-	183.00320	128.6
[M]+	162.02798	127.0
[M]-	162.02908	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe