CID 1068

Dimethyl sulfide

Structural Information

Molecular Formula

SMILES

CSC

InChI

InChI=1S/C2H6S/c1-3-2/h1-2H3

InChIKey

QMMFVYPAHWMCMS-UHFFFAOYSA-N

Compound name

methylsulfanylmethane

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 989
References: 137292
Patents: 62.01902 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]+	63.026296	105.8
[M+Na]+	85.008238	114.8
[M-H]-	61.011744	107.1
[M+NH4]+	80.052843	131.4
[M+K]+	100.98218	114.9
[M+H-H2O]+	45.016280	102.1
[M+HCOO]-	107.01722	125.3
[M+CH3COO]-	121.03287	159.3
[M+Na-2H]-	82.993686	111.3
[M]+	62.018471	107.6
[M]-	62.019569	107.6

Literature stripe

literature stripe

Patent stripe

patents stripe