CID 45088186

Tdl-s

Structural Information

Molecular Formula

C₄H₈N₂S₂

SMILES

CN1CN(SC1=S)C

InChI

InChI=1S/C4H8N2S2/c1-5-3-6(2)8-4(5)7/h3H2,1-2H3

InChIKey

QJUXZFCVRQCPSD-UHFFFAOYSA-N

Compound name

2,4-dimethyl-1,2,4-thiadiazolidine-5-thione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 6
Patents: 148.0129 Da
Monoisotopic Mass: 1.0
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]+	149.02018	126.0
[M+Na]+	171.00212	136.5
[M-H]-	147.00562	127.6
[M+NH4]+	166.04672	147.8
[M+K]+	186.97606	133.8
[M+H-H2O]+	131.01016	120.8
[M+HCOO]-	193.01110	136.7
[M+CH3COO]-	207.02675	172.9
[M+Na-2H]-	168.98757	124.6
[M]+	148.01235	126.4
[M]-	148.01345	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe