CID 48207

Butyramide, 2-ethyl-2-propylthio-

Structural Information

Molecular Formula
C9H19NOS
SMILES
CCCSC(CC)(CC)C(=O)N
InChI
InChI=1S/C9H19NOS/c1-4-7-12-9(5-2,6-3)8(10)11/h4-7H2,1-3H3,(H2,10,11)
InChIKey
JUZAKHTUSPDONW-UHFFFAOYSA-N
Compound name
2-ethyl-2-propylsulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11873 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12601 145.4
[M+Na]+ 212.10795 150.8
[M-H]- 188.11145 144.8
[M+NH4]+ 207.15255 165.1
[M+K]+ 228.08189 148.8
[M+H-H2O]+ 172.11599 140.1
[M+HCOO]- 234.11693 160.8
[M+CH3COO]- 248.13258 186.4
[M+Na-2H]- 210.09340 146.1
[M]+ 189.11818 147.5
[M]- 189.11928 147.5
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.