CID 98461158

Tert-butyl (3s)-3-[(chlorosulfonyl)methyl]piperidine-1-carboxylate

Structural Information

Molecular Formula
C11H20ClNO4S
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H](C1)CS(=O)(=O)Cl
InChI
InChI=1S/C11H20ClNO4S/c1-11(2,3)17-10(14)13-6-4-5-9(7-13)8-18(12,15)16/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKey
RENPBPBQYNJKOQ-VIFPVBQESA-N
Compound name
tert-butyl (3S)-3-(chlorosulfonylmethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.08017 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.087446 164.0
[M+Na]+ 320.069388 170.1
[M-H]- 296.072894 165.9
[M+NH4]+ 315.113993 179.5
[M+K]+ 336.043328 167.4
[M+H-H2O]+ 280.077430 159.2
[M+HCOO]- 342.078371 170.1
[M+CH3COO]- 356.094021 195.0
[M+Na-2H]- 318.054836 165.4
[M]+ 297.07962142 167.2
[M]- 297.08071858 167.2
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.