CID 24906332

8-(acetylsulfanyl)-6-sulfanyloctanamide

Structural Information

Molecular Formula
C10H19NO2S2
SMILES
CC(=O)SCCC(CCCCC(=O)N)S
InChI
InChI=1S/C10H19NO2S2/c1-8(12)15-7-6-9(14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13)
InChIKey
WXCOTNFMLYTGPZ-UHFFFAOYSA-N
Compound name
S-(8-amino-8-oxo-3-sulfanyloctyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

249.08572 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.092996 156.9
[M+Na]+ 272.074938 160.7
[M-H]- 248.078444 155.4
[M+NH4]+ 267.119543 173.7
[M+K]+ 288.048878 157.1
[M+H-H2O]+ 232.082980 150.3
[M+HCOO]- 294.083921 165.7
[M+CH3COO]- 308.099571 195.8
[M+Na-2H]- 270.060386 152.6
[M]+ 249.08517142 159.8
[M]- 249.08626858 159.8
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.