CID 508462

3-decylsulfonylprop-2-enamide

Structural Information

Molecular Formula
C13H25NO3S
SMILES
CCCCCCCCCCS(=O)(=O)C=CC(=O)N
InChI
InChI=1S/C13H25NO3S/c1-2-3-4-5-6-7-8-9-11-18(16,17)12-10-13(14)15/h10,12H,2-9,11H2,1H3,(H2,14,15)
InChIKey
JIAIWOWOOLPXIP-UHFFFAOYSA-N
Compound name
3-decylsulfonylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

275.15552 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.16280 166.8
[M+Na]+ 298.14474 171.1
[M-H]- 274.14824 165.4
[M+NH4]+ 293.18934 182.7
[M+K]+ 314.11868 167.2
[M+H-H2O]+ 258.15278 160.5
[M+HCOO]- 320.15372 182.0
[M+CH3COO]- 334.16937 199.2
[M+Na-2H]- 296.13019 165.9
[M]+ 275.15497 171.1
[M]- 275.15607 171.1
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

patents stripe