CID 132371486

2172071-83-7

Structural Information

Molecular Formula
C12H22ClNO4S
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)CCS(=O)(=O)Cl
InChI
InChI=1S/C12H22ClNO4S/c1-12(2,3)18-11(15)14-7-4-5-10(9-14)6-8-19(13,16)17/h10H,4-9H2,1-3H3
InChIKey
PFPPDJLYJBXJHF-UHFFFAOYSA-N
Compound name
tert-butyl 3-(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]+ 312.10308 168.4
[M+Na]+ 334.08502 174.1
[M-H]- 310.08852 170.1
[M+NH4]+ 329.12962 183.3
[M+K]+ 350.05896 171.1
[M+H-H2O]+ 294.09306 163.5
[M+HCOO]- 356.09400 174.2
[M+CH3COO]- 370.10965 198.0
[M+Na-2H]- 332.07047 169.4
[M]+ 311.09525 172.0
[M]- 311.09635 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.