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]+ 218.15732 154.1
[M+Na]+ 240.13926 158.8
[M-H]- 216.14276 153.8
[M+NH4]+ 235.18386 173.1
[M+K]+ 256.11320 156.7
[M+H-H2O]+ 200.14730 148.5
[M+HCOO]- 262.14824 169.6
[M+CH3COO]- 276.16389 192.4
[M+Na-2H]- 238.12471 154.9
[M]+ 217.14949 157.9
[M]- 217.15059 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.