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]+ 190.126006 145.2
[M+Na]+ 212.107948 150.7
[M-H]- 188.111454 145.3
[M+NH4]+ 207.152553 165.3
[M+K]+ 228.081888 149.2
[M+H-H2O]+ 172.115990 140.0
[M+HCOO]- 234.116931 161.3
[M+CH3COO]- 248.132581 186.4
[M+Na-2H]- 210.093396 147.0
[M]+ 189.11818142 148.3
[M]- 189.11927858 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.