CID 71757844

Tert-butyl 4-bromomethanesulfonylpiperazine-1-carboxylate

Structural Information

Molecular Formula
C10H19BrN2O4S
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)CBr
InChI
InChI=1S/C10H19BrN2O4S/c1-10(2,3)17-9(14)12-4-6-13(7-5-12)18(15,16)8-11/h4-8H2,1-3H3
InChIKey
LVUKARQJVGPWEM-UHFFFAOYSA-N
Compound name
tert-butyl 4-(bromomethylsulfonyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.0249 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.03218 160.2
[M+Na]+ 365.01412 169.6
[M-H]- 341.01762 163.4
[M+NH4]+ 360.05872 175.6
[M+K]+ 380.98806 159.2
[M+H-H2O]+ 325.02216 160.1
[M+HCOO]- 387.02310 168.3
[M+CH3COO]- 401.03875 200.3
[M+Na-2H]- 362.99957 164.4
[M]+ 342.02435 180.1
[M]- 342.02545 180.1
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