CID 3048481

Bayer 29759

Structural Information

Molecular Formula

C₆H₁₂N₂OS₂

SMILES

CN1CN(CSC1=S)CCO

InChI

InChI=1S/C6H12N2OS2/c1-7-4-8(2-3-9)5-11-6(7)10/h9H,2-5H2,1H3

InChIKey

ZWCSWKXHGUBZAK-UHFFFAOYSA-N

Compound name

5-(2-hydroxyethyl)-3-methyl-1,3,5-thiadiazinane-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 192.03911 Da
Monoisotopic Mass: 0.6
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]+	193.04639	136.9
[M+Na]+	215.02833	144.3
[M-H]-	191.03183	135.9
[M+NH4]+	210.07293	154.0
[M+K]+	231.00227	140.0
[M+H-H2O]+	175.03637	131.0
[M+HCOO]-	237.03731	143.5
[M+CH3COO]-	251.05296	178.4
[M+Na-2H]-	213.01378	136.1
[M]+	192.03856	135.1
[M]-	192.03966	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe