CID 211442

Brn 0809471

Structural Information

Molecular Formula
C10H20N2O5S
SMILES
CCOC(=O)N1CCN(CC1)CCCS(=O)(=O)O
InChI
InChI=1S/C10H20N2O5S/c1-2-17-10(13)12-7-5-11(6-8-12)4-3-9-18(14,15)16/h2-9H2,1H3,(H,14,15,16)
InChIKey
BVWZIUGZDCXIIB-UHFFFAOYSA-N
Compound name
3-(4-ethoxycarbonylpiperazin-1-yl)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10928 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11656 163.1
[M+Na]+ 303.09850 169.8
[M+NH4]+ 298.14310 167.1
[M+K]+ 319.07244 165.5
[M-H]- 279.10200 159.7
[M+Na-2H]- 301.08395 163.3
[M]+ 280.10873 163.0
[M]- 280.10983 163.0
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.