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 159.7
[M+Na]+ 307.04897 166.6
[M-H]- 283.05247 160.5
[M+NH4]+ 302.09357 174.3
[M+K]+ 323.02291 164.3
[M+H-H2O]+ 267.05701 154.4
[M+HCOO]- 329.05795 165.0
[M+CH3COO]- 343.07360 191.8
[M+Na-2H]- 305.03442 162.0
[M]+ 284.05920 162.5
[M]- 284.06030 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