CID 72213028

1260664-44-5

Structural Information

Molecular Formula

C₁₀H₁₈ClNO₄S

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)S(=O)(=O)Cl

InChI

InChI=1S/C10H18ClNO4S/c1-10(2,3)16-9(13)12-6-4-5-8(7-12)17(11,14)15/h8H,4-7H2,1-3H3

InChIKey

GNGWMWXDMXELMT-UHFFFAOYSA-N

Compound name

tert-butyl 3-chlorosulfonylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 283.0645 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	284.071776	159.6
[M+Na]+	306.053718	166.1
[M-H]-	282.057224	161.7
[M+NH4]+	301.098323	175.6
[M+K]+	322.027658	163.6
[M+H-H2O]+	266.061760	155.0
[M+HCOO]-	328.062701	165.9
[M+CH3COO]-	342.078351	192.1
[M+Na-2H]-	304.039166	161.5
[M]+	283.06395142	162.4
[M]-	283.06504858	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe