CID 53471898

S-(methylthiomethyl) 2-methylpropanethioate

Structural Information

Molecular Formula
C6H12OS2
SMILES
CC(C)C(=O)SCSC
InChI
InChI=1S/C6H12OS2/c1-5(2)6(7)9-4-8-3/h5H,4H2,1-3H3
InChIKey
BUOOBCHAUHUKHM-UHFFFAOYSA-N
Compound name
S-(methylsulfanylmethyl) 2-methylpropanethioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

164.03296 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04024 135.2
[M+Na]+ 187.02218 144.0
[M+NH4]+ 182.06678 143.9
[M+K]+ 202.99612 135.5
[M-H]- 163.02568 135.1
[M+Na-2H]- 185.00763 136.8
[M]+ 164.03241 137.2
[M]- 164.03351 137.2
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.