CID 45789737

782501-25-1

Structural Information

Molecular Formula

C₁₀H₁₈ClNO₄S

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)S(=O)(=O)Cl

InChI

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

InChIKey

VJAHMDQRVLEOFG-UHFFFAOYSA-N

Compound name

tert-butyl 4-chlorosulfonylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 273
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]+	284.07178	159.6
[M+Na]+	306.05372	166.1
[M-H]-	282.05722	161.7
[M+NH4]+	301.09832	175.6
[M+K]+	322.02766	163.6
[M+H-H2O]+	266.06176	155.0
[M+HCOO]-	328.06270	166.0
[M+CH3COO]-	342.07835	192.1
[M+Na-2H]-	304.03917	161.5
[M]+	283.06395	162.4
[M]-	283.06505	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe