CID 165764100

2757894-48-5

Structural Information

Molecular Formula
C11H19ClN2O6S
SMILES
CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)OC)S(=O)(=O)Cl
InChI
InChI=1S/C11H19ClN2O6S/c1-11(2,3)20-10(16)13-5-6-14(21(12,17)18)8(7-13)9(15)19-4/h8H,5-7H2,1-4H3
InChIKey
QRRSGAJQYFDJFL-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-methyl 4-chlorosulfonylpiperazine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.06525 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07253 169.9
[M+Na]+ 365.05447 176.3
[M-H]- 341.05797 170.8
[M+NH4]+ 360.09907 182.1
[M+K]+ 381.02841 174.8
[M+H-H2O]+ 325.06251 164.7
[M+HCOO]- 387.06345 174.3
[M+CH3COO]- 401.07910 202.7
[M+Na-2H]- 363.03992 170.7
[M]+ 342.06470 175.4
[M]- 342.06580 175.4
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.