CID 54592806

Benzyl 3-(chlorosulfonyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H16ClNO4S
SMILES
C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C13H16ClNO4S/c14-20(17,18)12-7-4-8-15(9-12)13(16)19-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey
MCYGNOGDLRRQSD-UHFFFAOYSA-N
Compound name
benzyl 3-chlorosulfonylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

317.04886 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.05614 167.4
[M+Na]+ 340.03808 173.7
[M-H]- 316.04158 172.2
[M+NH4]+ 335.08268 181.4
[M+K]+ 356.01202 169.6
[M+H-H2O]+ 300.04612 160.7
[M+HCOO]- 362.04706 175.9
[M+CH3COO]- 376.06271 197.0
[M+Na-2H]- 338.02353 169.2
[M]+ 317.04831 169.5
[M]- 317.04941 169.5
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