CID 16840

Dimethyl trithiocarbonate

Structural Information

Molecular Formula

C₃H₆S₃

SMILES

CSC(=S)SC

InChI

InChI=1S/C3H6S3/c1-5-3(4)6-2/h1-2H3

InChIKey

IQWMXKTYXNMSLC-UHFFFAOYSA-N

Compound name

bis(methylsulfanyl)methanethione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 546
Patents: 137.96317 Da
Monoisotopic Mass: 2.2
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]+	138.97045	121.5
[M+Na]+	160.95239	129.6
[M-H]-	136.95589	121.6
[M+NH4]+	155.99699	143.2
[M+K]+	176.92633	125.3
[M+H-H2O]+	120.96043	116.6
[M+HCOO]-	182.96137	127.3
[M+CH3COO]-	196.97702	172.4
[M+Na-2H]-	158.93784	120.8
[M]+	137.96262	121.9
[M]-	137.96372	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe