CID 145913301

2377004-10-7

Structural Information

Molecular Formula
C12H22ClNO5S
SMILES
CC1(CN(C[C@H](O1)CS(=O)(=O)Cl)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H22ClNO5S/c1-11(2,3)19-10(15)14-6-9(7-20(13,16)17)18-12(4,5)8-14/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKey
MMSONMMARVAUDL-VIFPVBQESA-N
Compound name
tert-butyl (6S)-6-(chlorosulfonylmethyl)-2,2-dimethylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.09073 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09801 166.6
[M+Na]+ 350.07995 173.7
[M-H]- 326.08345 169.5
[M+NH4]+ 345.12455 181.8
[M+K]+ 366.05389 172.8
[M+H-H2O]+ 310.08799 163.1
[M+HCOO]- 372.08893 171.8
[M+CH3COO]- 386.10458 201.1
[M+Na-2H]- 348.06540 170.3
[M]+ 327.09018 172.9
[M]- 327.09128 172.9
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.