CID 165948071

4-(oxetane-3-sulfonyl)piperidine

Structural Information

Molecular Formula
C8H15NO3S
SMILES
C1CNCCC1S(=O)(=O)C2COC2
InChI
InChI=1S/C8H15NO3S/c10-13(11,8-5-12-6-8)7-1-3-9-4-2-7/h7-9H,1-6H2
InChIKey
HMJKNYHCMHNGFN-UHFFFAOYSA-N
Compound name
4-(oxetan-3-ylsulfonyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.07727 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08455 134.4
[M+Na]+ 228.06649 137.1
[M-H]- 204.06999 137.5
[M+NH4]+ 223.11109 143.3
[M+K]+ 244.04043 139.4
[M+H-H2O]+ 188.07453 122.4
[M+HCOO]- 250.07547 144.1
[M+CH3COO]- 264.09112 179.9
[M+Na-2H]- 226.05194 138.1
[M]+ 205.07672 139.1
[M]- 205.07782 139.1
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.