CID 2759593

66437-18-1

Structural Information

Molecular Formula

C₄H₆N₂OS₂

SMILES

COCC1=NNC(=S)S1

InChI

InChI=1S/C4H6N2OS2/c1-7-2-3-5-6-4(8)9-3/h2H2,1H3,(H,6,8)

InChIKey

SKGOKGMZDMGZAM-UHFFFAOYSA-N

Compound name

5-(methoxymethyl)-3H-1,3,4-thiadiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 161.99216 Da
Monoisotopic Mass: 0.8
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]+	162.99944	127.3
[M+Na]+	184.98138	138.4
[M-H]-	160.98488	127.8
[M+NH4]+	180.02598	147.7
[M+K]+	200.95532	134.5
[M+H-H2O]+	144.98942	122.0
[M+HCOO]-	206.99036	139.7
[M+CH3COO]-	221.00601	170.5
[M+Na-2H]-	182.96683	128.1
[M]+	161.99161	129.5
[M]-	161.99271	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe