CID 46743467

913952-86-0

Structural Information

Molecular Formula
C12H24N2O4S
SMILES
CCCS(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H24N2O4S/c1-5-10-19(16,17)14-8-6-13(7-9-14)11(15)18-12(2,3)4/h5-10H2,1-4H3
InChIKey
VLGUEPQFWYQVGH-UHFFFAOYSA-N
Compound name
tert-butyl 4-propylsulfonylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

292.1457 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15298 168.2
[M+Na]+ 315.13492 173.3
[M-H]- 291.13842 168.2
[M+NH4]+ 310.17952 181.6
[M+K]+ 331.10886 171.8
[M+H-H2O]+ 275.14296 161.6
[M+HCOO]- 337.14390 177.1
[M+CH3COO]- 351.15955 197.1
[M+Na-2H]- 313.12037 169.3
[M]+ 292.14515 170.3
[M]- 292.14625 170.3
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