CID 48203

2-ethyl-2-ethylthio-n-methylbutyramide

Structural Information

Molecular Formula
C9H19NOS
SMILES
CCC(CC)(C(=O)NC)SCC
InChI
InChI=1S/C9H19NOS/c1-5-9(6-2,12-7-3)8(11)10-4/h5-7H2,1-4H3,(H,10,11)
InChIKey
FAUKZDSKSXAEPR-UHFFFAOYSA-N
Compound name
2-ethyl-2-ethylsulfanyl-N-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11873 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12601 145.2
[M+Na]+ 212.10795 150.7
[M-H]- 188.11145 145.3
[M+NH4]+ 207.15255 165.3
[M+K]+ 228.08189 149.2
[M+H-H2O]+ 172.11599 140.0
[M+HCOO]- 234.11693 161.3
[M+CH3COO]- 248.13258 186.4
[M+Na-2H]- 210.09340 147.0
[M]+ 189.11818 148.3
[M]- 189.11928 148.3
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.