CID 61420702

4-ethylpiperidine-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H14ClNO2S
SMILES
CCC1CCN(CC1)S(=O)(=O)Cl
InChI
InChI=1S/C7H14ClNO2S/c1-2-7-3-5-9(6-4-7)12(8,10)11/h7H,2-6H2,1H3
InChIKey
ZFBJGVKLVYWVDB-UHFFFAOYSA-N
Compound name
4-ethylpiperidine-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04338 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05066 142.1
[M+Na]+ 234.03260 149.7
[M-H]- 210.03610 144.1
[M+NH4]+ 229.07720 161.0
[M+K]+ 250.00654 146.4
[M+H-H2O]+ 194.04064 137.3
[M+HCOO]- 256.04158 151.1
[M+CH3COO]- 270.05723 180.6
[M+Na-2H]- 232.01805 144.6
[M]+ 211.04283 142.8
[M]- 211.04393 142.8
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.