CID 138818

Methanedithiol

Structural Information

Molecular Formula

SMILES

C(S)S

InChI

InChI=1S/CH4S2/c2-1-3/h2-3H,1H2

InChIKey

INBDPOJZYZJUDA-UHFFFAOYSA-N

Compound name

methanedithiol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 9
References: 3705
Patents: 79.97544 Da
Monoisotopic Mass: 0.9
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]+	80.982716	110.2
[M+Na]+	102.96466	121.3
[M+NH4]+	98.009263	120.9
[M+K]+	118.93860	111.9
[M-H]-	78.968164	111.7
[M+Na-2H]-	100.95011	114.2
[M]+	79.974891	113.2
[M]-	79.975989	113.2

Literature stripe

literature stripe

Patent stripe

patents stripe