CID 14704626

Methyl 1-(methylsulfinyl)propyl disulfide

Structural Information

Molecular Formula
C5H12OS3
SMILES
CCC(SSC)S(=O)C
InChI
InChI=1S/C5H12OS3/c1-4-5(8-7-2)9(3)6/h5H,4H2,1-3H3
InChIKey
BBBAHSPHKVIDRN-UHFFFAOYSA-N
Compound name
1-(methyldisulfanyl)-1-methylsulfinylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

184.00504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01232 134.0
[M+Na]+ 206.99426 140.4
[M-H]- 182.99776 133.4
[M+NH4]+ 202.03886 153.6
[M+K]+ 222.96820 136.3
[M+H-H2O]+ 167.00230 128.5
[M+HCOO]- 229.00324 138.3
[M+CH3COO]- 243.01889 182.0
[M+Na-2H]- 204.97971 131.8
[M]+ 184.00449 136.0
[M]- 184.00559 136.0
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

patents stripe