CID 521472

Methyl 1-(methylthio)propyl disulfide

Structural Information

Molecular Formula
C5H12S3
SMILES
CCC(SC)SSC
InChI
InChI=1S/C5H12S3/c1-4-5(6-2)8-7-3/h5H,4H2,1-3H3
InChIKey
OGKCJWOOFUPRSV-UHFFFAOYSA-N
Compound name
1-(methyldisulfanyl)-1-methylsulfanylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

168.01012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01740 129.6
[M+Na]+ 190.99934 136.5
[M-H]- 167.00284 129.2
[M+NH4]+ 186.04394 150.2
[M+K]+ 206.97328 132.2
[M+H-H2O]+ 151.00738 124.3
[M+HCOO]- 213.00832 134.7
[M+CH3COO]- 227.02397 180.3
[M+Na-2H]- 188.98479 128.2
[M]+ 168.00957 131.6
[M]- 168.01067 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe