CID 72212376

Tert-butyl 4-[(chlorosulfonyl)methyl]piperidine-1-carboxylate

Structural Information

Molecular Formula
C11H20ClNO4S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CS(=O)(=O)Cl
InChI
InChI=1S/C11H20ClNO4S/c1-11(2,3)17-10(14)13-6-4-9(5-7-13)8-18(12,15)16/h9H,4-8H2,1-3H3
InChIKey
AYOXDBOOFYZYJD-UHFFFAOYSA-N
Compound name
tert-butyl 4-(chlorosulfonylmethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

297.08017 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08745 164.0
[M+Na]+ 320.06939 170.1
[M-H]- 296.07289 165.9
[M+NH4]+ 315.11399 179.5
[M+K]+ 336.04333 167.4
[M+H-H2O]+ 280.07743 159.2
[M+HCOO]- 342.07837 170.1
[M+CH3COO]- 356.09402 195.0
[M+Na-2H]- 318.05484 165.4
[M]+ 297.07962 167.2
[M]- 297.08072 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

patents stripe