CID 127264569

2089381-12-2

Structural Information

Molecular Formula
C11H22N2O4S
SMILES
CC(C)(C)OC(=O)N1CCNCC1CS(=O)(=O)C
InChI
InChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)13-6-5-12-7-9(13)8-18(4,15)16/h9,12H,5-8H2,1-4H3
InChIKey
BADIXIACPCODFQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(methylsulfonylmethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.13004 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.137316 164.5
[M+Na]+ 301.119258 169.5
[M-H]- 277.122764 163.2
[M+NH4]+ 296.163863 177.6
[M+K]+ 317.093198 167.4
[M+H-H2O]+ 261.127300 158.3
[M+HCOO]- 323.128241 172.1
[M+CH3COO]- 337.143891 191.6
[M+Na-2H]- 299.104706 165.6
[M]+ 278.12949142 164.3
[M]- 278.13058858 164.3
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

No patent data available for this compound.