CID 526613

3,6-dimethyl-1,2,4,5-tetrathiane

Structural Information

Molecular Formula

C₄H₈S₄

SMILES

CC1SSC(SS1)C

InChI

InChI=1S/C4H8S4/c1-3-5-7-4(2)8-6-3/h3-4H,1-2H3

InChIKey

OLLSVBUNSGNIRV-UHFFFAOYSA-N

Compound name

3,6-dimethyl-1,2,4,5-tetrathiane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 5
Patents: 183.95088 Da
Monoisotopic Mass: 2.4
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]+	184.958156	132.5
[M+Na]+	206.940098	139.4
[M-H]-	182.943604	133.5
[M+NH4]+	201.984703	151.4
[M+K]+	222.914038	132.5
[M+H-H2O]+	166.948140	127.4
[M+HCOO]-	228.949081	130.8
[M+CH3COO]-	242.964731	142.5
[M+Na-2H]-	204.925546	131.7
[M]+	183.95033142	127.2
[M]-	183.95142858	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe