CID 166001000

Tert-butyl n-{[(3r)-1-(chlorosulfonyl)piperidin-3-yl]methyl}carbamate

Structural Information

Molecular Formula
C11H21ClN2O4S
SMILES
CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)S(=O)(=O)Cl
InChI
InChI=1S/C11H21ClN2O4S/c1-11(2,3)18-10(15)13-7-9-5-4-6-14(8-9)19(12,16)17/h9H,4-8H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKey
WDFPRICCHMSLAH-SECBINFHSA-N
Compound name
tert-butyl N-[[(3R)-1-chlorosulfonylpiperidin-3-yl]methyl]carbamate
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 168.4
[M+Na]+ 335.08028 173.4
[M-H]- 311.08378 170.0
[M+NH4]+ 330.12488 182.8
[M+K]+ 351.05422 170.6
[M+H-H2O]+ 295.08832 163.1
[M+HCOO]- 357.08926 175.3
[M+CH3COO]- 371.10491 200.0
[M+Na-2H]- 333.06573 170.3
[M]+ 312.09051 170.7
[M]- 312.09161 170.7
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.