CID 118783

35200-02-3

Structural Information

Molecular Formula

C₅H₁₀OS₂

SMILES

CC(C)OC(=S)SC

InChI

InChI=1S/C5H10OS2/c1-4(2)6-5(7)8-3/h4H,1-3H3

InChIKey

GNGKJKOKYSKNNW-UHFFFAOYSA-N

Compound name

O-propan-2-yl methylsulfanylmethanethioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 61
Patents: 150.0173 Da
Monoisotopic Mass: 2.5
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]+	151.024576	128.1
[M+Na]+	173.006518	135.3
[M-H]-	149.010024	128.6
[M+NH4]+	168.051123	149.9
[M+K]+	188.980458	133.4
[M+H-H2O]+	133.014560	123.2
[M+HCOO]-	195.015501	138.9
[M+CH3COO]-	209.031151	174.6
[M+Na-2H]-	170.991966	127.3
[M]+	150.01675142	130.9
[M]-	150.01784858	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe