CID 132371485

2155853-00-0

Structural Information

Molecular Formula
C12H22ClNO4S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CCS(=O)(=O)Cl
InChI
InChI=1S/C12H22ClNO4S/c1-12(2,3)18-11(15)14-7-4-10(5-8-14)6-9-19(13,16)17/h10H,4-9H2,1-3H3
InChIKey
CHKJGJHEXRJFCO-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-chlorosulfonylethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.0958 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.103076 168.4
[M+Na]+ 334.085018 174.1
[M-H]- 310.088524 170.1
[M+NH4]+ 329.129623 183.3
[M+K]+ 350.058958 171.1
[M+H-H2O]+ 294.093060 163.5
[M+HCOO]- 356.094001 174.2
[M+CH3COO]- 370.109651 198.0
[M+Na-2H]- 332.070466 169.4
[M]+ 311.09525142 172.0
[M]- 311.09634858 172.0
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.