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]+ 198.00755 137.7
[M+Na]+ 219.98949 143.1
[M-H]- 195.99299 136.1
[M+NH4]+ 215.03409 155.9
[M+K]+ 235.96343 138.1
[M+H-H2O]+ 179.99753 131.5
[M+HCOO]- 241.99847 142.0
[M+CH3COO]- 256.01412 185.7
[M+Na-2H]- 217.97494 135.3
[M]+ 196.99972 137.8
[M]- 197.00082 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.