CID 474224

2-acetylthio-1-(acetylthiomethyl)-isopropyl acetate

Structural Information

Molecular Formula
C10H16O4S2
SMILES
CC(=O)OC(C)(CSC(=O)C)CSC(=O)C
InChI
InChI=1S/C10H16O4S2/c1-7(11)14-10(4,5-15-8(2)12)6-16-9(3)13/h5-6H2,1-4H3
InChIKey
OEVPPLPXEBKSOR-UHFFFAOYSA-N
Compound name
[1,3-bis(acetylsulfanyl)-2-methylpropan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.049 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.05628 159.0
[M+Na]+ 287.03822 164.0
[M-H]- 263.04172 158.5
[M+NH4]+ 282.08282 175.8
[M+K]+ 303.01216 161.9
[M+H-H2O]+ 247.04626 153.4
[M+HCOO]- 309.04720 167.0
[M+CH3COO]- 323.06285 193.6
[M+Na-2H]- 285.02367 156.6
[M]+ 264.04845 165.3
[M]- 264.04955 165.3
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.