CID 57231271

4-(propane-2-sulfonyl)piperidine hydrochloride

Structural Information

Molecular Formula
C8H17NO2S
SMILES
CC(C)S(=O)(=O)C1CCNCC1
InChI
InChI=1S/C8H17NO2S/c1-7(2)12(10,11)8-3-5-9-6-4-8/h7-9H,3-6H2,1-2H3
InChIKey
DLDLIKJDRQJBEB-UHFFFAOYSA-N
Compound name
4-propan-2-ylsulfonylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

191.098 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10528 141.7
[M+Na]+ 214.08722 146.7
[M-H]- 190.09072 141.8
[M+NH4]+ 209.13182 159.5
[M+K]+ 230.06116 144.5
[M+H-H2O]+ 174.09526 136.2
[M+HCOO]- 236.09620 152.5
[M+CH3COO]- 250.11185 176.8
[M+Na-2H]- 212.07267 143.3
[M]+ 191.09745 138.2
[M]- 191.09855 138.2
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

patents stripe