CID 48206

2-ethyl-2-(propylsulfonyl)butyramide

Structural Information

Molecular Formula
C9H19NO3S
SMILES
CCCS(=O)(=O)C(CC)(CC)C(=O)N
InChI
InChI=1S/C9H19NO3S/c1-4-7-14(12,13)9(5-2,6-3)8(10)11/h4-7H2,1-3H3,(H2,10,11)
InChIKey
DUAMOMKXKUHSRH-UHFFFAOYSA-N
Compound name
2-ethyl-2-propylsulfonylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.10857 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11585 150.0
[M+Na]+ 244.09779 156.0
[M-H]- 220.10129 149.6
[M+NH4]+ 239.14239 168.2
[M+K]+ 260.07173 154.2
[M+H-H2O]+ 204.10583 145.0
[M+HCOO]- 266.10677 164.8
[M+CH3COO]- 280.12242 189.1
[M+Na-2H]- 242.08324 152.0
[M]+ 221.10802 153.1
[M]- 221.10912 153.1
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.