CID 474223

2,3-diacetylthio-1-methylpropyl acetate

Structural Information

Molecular Formula
C10H16O4S2
SMILES
CC(C(CSC(=O)C)SC(=O)C)OC(=O)C
InChI
InChI=1S/C10H16O4S2/c1-6(14-7(2)11)10(16-9(4)13)5-15-8(3)12/h6,10H,5H2,1-4H3
InChIKey
GOCZZHAIIGGCNR-UHFFFAOYSA-N
Compound name
3,4-bis(acetylsulfanyl)butan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.049 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.05628 158.2
[M+Na]+ 287.03822 162.4
[M-H]- 263.04172 157.6
[M+NH4]+ 282.08282 174.8
[M+K]+ 303.01216 160.8
[M+H-H2O]+ 247.04626 152.3
[M+HCOO]- 309.04720 165.4
[M+CH3COO]- 323.06285 195.2
[M+Na-2H]- 285.02367 153.0
[M]+ 264.04845 163.9
[M]- 264.04955 163.9
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.