CID 479444

3-decylsulfonylpropanamide

Structural Information

Molecular Formula
C13H27NO3S
SMILES
CCCCCCCCCCS(=O)(=O)CCC(=O)N
InChI
InChI=1S/C13H27NO3S/c1-2-3-4-5-6-7-8-9-11-18(16,17)12-10-13(14)15/h2-12H2,1H3,(H2,14,15)
InChIKey
UXTVHQNLIVCFKI-UHFFFAOYSA-N
Compound name
3-decylsulfonylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

277.17117 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17845 167.8
[M+Na]+ 300.16039 171.7
[M-H]- 276.16389 166.3
[M+NH4]+ 295.20499 183.6
[M+K]+ 316.13433 168.4
[M+H-H2O]+ 260.16843 161.4
[M+HCOO]- 322.16937 182.8
[M+CH3COO]- 336.18502 200.7
[M+Na-2H]- 298.14584 166.9
[M]+ 277.17062 172.8
[M]- 277.17172 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe