CID 123388

Ethyl methyl disulfide

Structural Information

Molecular Formula

C₃H₈S₂

SMILES

CCSSC

InChI

InChI=1S/C3H8S2/c1-3-5-4-2/h3H2,1-2H3

InChIKey

XLTBPTGNNLIKRW-UHFFFAOYSA-N

Compound name

(methyldisulfanyl)ethane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 1275
Patents: 108.006744 Da
Monoisotopic Mass: 1.3
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]+	109.01402	115.4
[M+Na]+	130.99596	123.8
[M-H]-	106.99947	116.2
[M+NH4]+	126.04057	139.1
[M+K]+	146.96990	122.0
[M+H-H2O]+	91.004004	111.0
[M+HCOO]-	153.00494	128.6
[M+CH3COO]-	167.02060	167.6
[M+Na-2H]-	128.98141	117.5
[M]+	108.00620	118.2
[M]-	108.00729	118.2

Literature stripe

literature stripe

Patent stripe

patents stripe