CID 479437

2-decylsulfonylacetamide

Structural Information

Molecular Formula
C12H25NO3S
SMILES
CCCCCCCCCCS(=O)(=O)CC(=O)N
InChI
InChI=1S/C12H25NO3S/c1-2-3-4-5-6-7-8-9-10-17(15,16)11-12(13)14/h2-11H2,1H3,(H2,13,14)
InChIKey
QNJSXDZZVJSONC-UHFFFAOYSA-N
Compound name
2-decylsulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

263.15552 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.16280 163.4
[M+Na]+ 286.14474 167.8
[M-H]- 262.14824 162.1
[M+NH4]+ 281.18934 179.9
[M+K]+ 302.11868 164.7
[M+H-H2O]+ 246.15278 157.2
[M+HCOO]- 308.15372 178.8
[M+CH3COO]- 322.16937 197.7
[M+Na-2H]- 284.13019 163.0
[M]+ 263.15497 168.1
[M]- 263.15607 168.1
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