CID 11029979

1925-78-6

Structural Information

Molecular Formula

C₄H₆N₂S₂

SMILES

CC1=NN=C(S1)SC

InChI

InChI=1S/C4H6N2S2/c1-3-5-6-4(7-2)8-3/h1-2H3

InChIKey

NEKCOKJRDOPRSK-UHFFFAOYSA-N

Compound name

2-methyl-5-methylsulfanyl-1,3,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 426
Patents: 145.99724 Da
Monoisotopic Mass: 0.9
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]+	147.00452	123.2
[M+Na]+	168.98646	134.7
[M-H]-	144.98996	125.2
[M+NH4]+	164.03106	145.2
[M+K]+	184.96040	132.1
[M+H-H2O]+	128.99450	117.7
[M+HCOO]-	190.99544	136.7
[M+CH3COO]-	205.01109	172.0
[M+Na-2H]-	166.97191	124.3
[M]+	145.99669	126.6
[M]-	145.99779	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe