CID 63397242

3-chloro-1-methanesulfonylpiperidine

Structural Information

Molecular Formula
C6H12ClNO2S
SMILES
CS(=O)(=O)N1CCCC(C1)Cl
InChI
InChI=1S/C6H12ClNO2S/c1-11(9,10)8-4-2-3-6(7)5-8/h6H,2-5H2,1H3
InChIKey
NKOVXJSSXLYQAL-UHFFFAOYSA-N
Compound name
3-chloro-1-methylsulfonylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.02773 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03501 137.6
[M+Na]+ 220.01695 145.7
[M-H]- 196.02045 139.9
[M+NH4]+ 215.06155 157.1
[M+K]+ 235.99089 142.6
[M+H-H2O]+ 180.02499 133.1
[M+HCOO]- 242.02593 147.0
[M+CH3COO]- 256.04158 177.6
[M+Na-2H]- 218.00240 140.7
[M]+ 197.02718 138.0
[M]- 197.02828 138.0
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.