CID 49860

67465-28-5

Structural Information

Molecular Formula
C13H25NO3S
SMILES
CCC(CCC(=O)N1CCCCC1)S(=O)(=O)CC
InChI
InChI=1S/C13H25NO3S/c1-3-12(18(16,17)4-2)8-9-13(15)14-10-6-5-7-11-14/h12H,3-11H2,1-2H3
InChIKey
YXWVGEKYHLCSSX-UHFFFAOYSA-N
Compound name
4-ethylsulfonyl-1-piperidin-1-ylhexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15552 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.16280 165.0
[M+Na]+ 298.14474 168.2
[M-H]- 274.14824 165.7
[M+NH4]+ 293.18934 179.9
[M+K]+ 314.11868 166.1
[M+H-H2O]+ 258.15278 158.3
[M+HCOO]- 320.15372 175.1
[M+CH3COO]- 334.16937 195.8
[M+Na-2H]- 296.13019 163.9
[M]+ 275.15497 165.3
[M]- 275.15607 165.3
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.