CID 43396117

Potassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate

Structural Information

Molecular Formula
C12H20N2O4
SMILES
C1CC(OC1)C(=O)N2CCN(CC2)CCC(=O)O
InChI
InChI=1S/C12H20N2O4/c15-11(16)3-4-13-5-7-14(8-6-13)12(17)10-2-1-9-18-10/h10H,1-9H2,(H,15,16)
InChIKey
CGJFVIFIDBVNOD-UHFFFAOYSA-N
Compound name
3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1423 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 160.5
[M+Na]+ 279.13152 167.4
[M+NH4]+ 274.17612 165.6
[M+K]+ 295.10546 166.4
[M-H]- 255.13502 160.9
[M+Na-2H]- 277.11697 161.3
[M]+ 256.14175 160.9
[M]- 256.14285 160.9
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.