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]+ 212.050656 142.1
[M+Na]+ 234.032598 149.7
[M-H]- 210.036104 144.1
[M+NH4]+ 229.077203 161.0
[M+K]+ 250.006538 146.4
[M+H-H2O]+ 194.040640 137.3
[M+HCOO]- 256.041581 151.1
[M+CH3COO]- 270.057231 180.6
[M+Na-2H]- 232.018046 144.6
[M]+ 211.04283142 142.8
[M]- 211.04392858 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.