CID 137943044

2287316-75-8

Structural Information

Molecular Formula
C12H20ClNO6S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)OC)S(=O)(=O)Cl
InChI
InChI=1S/C12H20ClNO6S/c1-11(2,3)20-10(16)14-7-5-12(6-8-14,9(15)19-4)21(13,17)18/h5-8H2,1-4H3
InChIKey
DTDMZRDLDWHTSR-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-methyl 4-chlorosulfonylpiperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.06998 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.07726 168.6
[M+Na]+ 364.05920 174.6
[M-H]- 340.06270 170.6
[M+NH4]+ 359.10380 184.0
[M+K]+ 380.03314 173.4
[M+H-H2O]+ 324.06724 165.2
[M+HCOO]- 386.06818 174.1
[M+CH3COO]- 400.08383 201.1
[M+Na-2H]- 362.04465 171.6
[M]+ 341.06943 174.3
[M]- 341.07053 174.3
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.