CID 462014

T-607

Structural Information

Molecular Formula
C5H11NOS3
SMILES
CCSSC(C(=O)N)SC
InChI
InChI=1S/C5H11NOS3/c1-3-9-10-5(8-2)4(6)7/h5H,3H2,1-2H3,(H2,6,7)
InChIKey
OKTRVIBXCNRKHI-UHFFFAOYSA-N
Compound name
2-(ethyldisulfanyl)-2-methylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.00027 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.007546 137.7
[M+Na]+ 219.989488 143.1
[M-H]- 195.992994 136.1
[M+NH4]+ 215.034093 155.9
[M+K]+ 235.963428 138.1
[M+H-H2O]+ 179.997530 131.5
[M+HCOO]- 241.998471 142.0
[M+CH3COO]- 256.014121 185.7
[M+Na-2H]- 217.974936 135.3
[M]+ 196.99972142 137.8
[M]- 197.00081858 137.8
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.