CID 6429019

Ethyl 1-(methylthio)propyl disulfide

Structural Information

Molecular Formula
C6H14S3
SMILES
CCC(SC)SSCC
InChI
InChI=1S/C6H14S3/c1-4-6(7-3)9-8-5-2/h6H,4-5H2,1-3H3
InChIKey
YPJBMNWGGROJKJ-UHFFFAOYSA-N
Compound name
1-(ethyldisulfanyl)-1-methylsulfanylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

182.02576 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03304 133.6
[M+Na]+ 205.01498 140.1
[M-H]- 181.01848 133.0
[M+NH4]+ 200.05958 153.6
[M+K]+ 220.98892 135.6
[M+H-H2O]+ 165.02302 128.1
[M+HCOO]- 227.02396 138.4
[M+CH3COO]- 241.03961 183.1
[M+Na-2H]- 203.00043 131.8
[M]+ 182.02521 135.9
[M]- 182.02631 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.