CID 42924

2,3-bis(acetylsulfanyl)propyl acetate

Structural Information

Molecular Formula
C9H14O4S2
SMILES
CC(=O)OCC(CSC(=O)C)SC(=O)C
InChI
InChI=1S/C9H14O4S2/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
InChIKey
MPXDRBQHZCUXHZ-UHFFFAOYSA-N
Compound name
2,3-bis(acetylsulfanyl)propyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.03336 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04064 156.6
[M+Na]+ 273.02258 162.7
[M+NH4]+ 268.06718 162.2
[M+K]+ 288.99652 156.4
[M-H]- 249.02608 153.7
[M+Na-2H]- 271.00803 155.5
[M]+ 250.03281 157.1
[M]- 250.03391 157.1
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.