CID 138106323

Propineb-didt

Structural Information

Molecular Formula

C₅H₆N₂S₃

SMILES

CC1CN2C(=N1)SSC2=S

InChI

InChI=1S/C5H6N2S3/c1-3-2-7-4(6-3)9-10-5(7)8/h3H,2H2,1H3

InChIKey

HBPWLKZHSGCXBC-UHFFFAOYSA-N

Compound name

6-methyl-5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 2
Patents: 189.96931 Da
Monoisotopic Mass: 1.2
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]+	190.97659	135.0
[M+Na]+	212.95853	147.5
[M-H]-	188.96203	137.4
[M+NH4]+	208.00313	158.0
[M+K]+	228.93247	143.5
[M+H-H2O]+	172.96657	131.7
[M+HCOO]-	234.96751	141.1
[M+CH3COO]-	248.98316	148.2
[M+Na-2H]-	210.94398	132.9
[M]+	189.96876	136.2
[M]-	189.96986	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe