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]+ 206.084546 134.4
[M+Na]+ 228.066488 137.1
[M-H]- 204.069994 137.5
[M+NH4]+ 223.111093 143.3
[M+K]+ 244.040428 139.4
[M+H-H2O]+ 188.074530 122.4
[M+HCOO]- 250.075471 144.1
[M+CH3COO]- 264.091121 179.9
[M+Na-2H]- 226.051936 138.1
[M]+ 205.07672142 139.1
[M]- 205.07781858 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.