CID 22914649

Tert-butyl 4-(chlorosulfonyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C9H17ClN2O4S
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)Cl
InChI
InChI=1S/C9H17ClN2O4S/c1-9(2,3)16-8(13)11-4-6-12(7-5-11)17(10,14)15/h4-7H2,1-3H3
InChIKey
CXEMWUYNUIKMNF-UHFFFAOYSA-N
Compound name
tert-butyl 4-chlorosulfonylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1020
Patents

284.05975 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06703 162.4
[M+Na]+ 307.04897 170.7
[M+NH4]+ 302.09357 167.5
[M+K]+ 323.02291 166.2
[M-H]- 283.05247 159.4
[M+Na-2H]- 305.03442 163.9
[M]+ 284.05920 163.1
[M]- 284.06030 163.1
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

patents stripe