CID 11240630

70391-06-9

Structural Information

Molecular Formula

C₄H₃N₃S₂

SMILES

CSC1=NN=C(S1)C#N

InChI

InChI=1S/C4H3N3S2/c1-8-4-7-6-3(2-5)9-4/h1H3

InChIKey

WNKOOEPXWOVDIJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 156.97684 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]+	157.98412	130.3
[M+Na]+	179.96606	143.2
[M-H]-	155.96956	132.7
[M+NH4]+	175.01066	149.7
[M+K]+	195.94000	141.4
[M+H-H2O]+	139.97410	117.9
[M+HCOO]-	201.97504	140.8
[M+CH3COO]-	215.99069	143.0
[M+Na-2H]-	177.95151	131.7
[M]+	156.97629	128.6
[M]-	156.97739	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe