CID 43810798

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

Structural Information

Molecular Formula
C11H21ClN2O4S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N(C)S(=O)(=O)Cl
InChI
InChI=1S/C11H21ClN2O4S/c1-11(2,3)18-10(15)14-7-5-9(6-8-14)13(4)19(12,16)17/h9H,5-8H2,1-4H3
InChIKey
WEGPMCVWYUNTLW-UHFFFAOYSA-N
Compound name
tert-butyl 4-[chlorosulfonyl(methyl)amino]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.09106 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09834 166.8
[M+Na]+ 335.08028 172.1
[M-H]- 311.08378 170.0
[M+NH4]+ 330.12488 181.9
[M+K]+ 351.05422 170.6
[M+H-H2O]+ 295.08832 161.5
[M+HCOO]- 357.08926 174.3
[M+CH3COO]- 371.10491 203.4
[M+Na-2H]- 333.06573 168.3
[M]+ 312.09051 170.5
[M]- 312.09161 170.5
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.