CID 15380

Bis(methylthio)methane

Structural Information

Molecular Formula

C₃H₈S₂

SMILES

CSCSC

InChI

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

InChIKey

LOCDPORVFVOGCR-UHFFFAOYSA-N

Compound name

bis(methylsulfanyl)methane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 5
References: 879
Patents: 108.006744 Da
Monoisotopic Mass: 1.6
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	118.5
[M+Na]+	130.99596	129.1
[M+NH4]+	126.04057	128.8
[M+K]+	146.96990	119.3
[M-H]-	106.99947	119.8
[M+Na-2H]-	128.98141	122.0
[M]+	108.00620	121.3
[M]-	108.00729	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe