CID 23000683

Benzyl 3-[(chlorosulfonyl)methyl]piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H18ClNO4S
SMILES
C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)CS(=O)(=O)Cl
InChI
InChI=1S/C14H18ClNO4S/c15-21(18,19)11-13-7-4-8-16(9-13)14(17)20-10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKey
SGQMTLDEQPNJLD-UHFFFAOYSA-N
Compound name
benzyl 3-(chlorosulfonylmethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

331.0645 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07178 171.8
[M+Na]+ 354.05372 182.8
[M+NH4]+ 349.09832 178.5
[M+K]+ 370.02766 175.2
[M-H]- 330.05722 173.1
[M+Na-2H]- 352.03917 177.2
[M]+ 331.06395 174.3
[M]- 331.06505 174.3
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