CID 48199

2-butylthio-2-ethyl-n-methylbutyramide

Structural Information

Molecular Formula
C11H23NOS
SMILES
CCCCSC(CC)(CC)C(=O)NC
InChI
InChI=1S/C11H23NOS/c1-5-8-9-14-11(6-2,7-3)10(13)12-4/h5-9H2,1-4H3,(H,12,13)
InChIKey
MNRIADNDXYTXAS-UHFFFAOYSA-N
Compound name
2-butylsulfanyl-2-ethyl-N-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.15004 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.157316 154.1
[M+Na]+ 240.139258 158.8
[M-H]- 216.142764 153.8
[M+NH4]+ 235.183863 173.1
[M+K]+ 256.113198 156.7
[M+H-H2O]+ 200.147300 148.5
[M+HCOO]- 262.148241 169.6
[M+CH3COO]- 276.163891 192.4
[M+Na-2H]- 238.124706 154.9
[M]+ 217.14949142 157.9
[M]- 217.15058858 157.9
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.