CID 53628347

Tert-butyl 4-sulfamoylpiperazine-1-carboxylate

Structural Information

Molecular Formula
C9H19N3O4S
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)N
InChI
InChI=1S/C9H19N3O4S/c1-9(2,3)16-8(13)11-4-6-12(7-5-11)17(10,14)15/h4-7H2,1-3H3,(H2,10,14,15)
InChIKey
ITCNSJCDIXSYGU-UHFFFAOYSA-N
Compound name
tert-butyl 4-sulfamoylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

265.10962 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11690 159.6
[M+Na]+ 288.09884 164.9
[M-H]- 264.10234 159.4
[M+NH4]+ 283.14344 173.3
[M+K]+ 304.07278 163.7
[M+H-H2O]+ 248.10688 153.1
[M+HCOO]- 310.10782 169.6
[M+CH3COO]- 324.12347 192.6
[M+Na-2H]- 286.08429 161.6
[M]+ 265.10907 158.7
[M]- 265.11017 158.7
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