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

1023
Patents

284.05975 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.067026 159.7
[M+Na]+ 307.048968 166.6
[M-H]- 283.052474 160.5
[M+NH4]+ 302.093573 174.3
[M+K]+ 323.022908 164.3
[M+H-H2O]+ 267.057010 154.4
[M+HCOO]- 329.057951 165.0
[M+CH3COO]- 343.073601 191.8
[M+Na-2H]- 305.034416 162.0
[M]+ 284.05920142 162.5
[M]- 284.06029858 162.5
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