CID 72211506

1240586-86-0

Structural Information

Molecular Formula
C13H24N2O4
SMILES
C[C@H]1CN(CCN1CCC(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H24N2O4/c1-10-9-15(12(18)19-13(2,3)4)8-7-14(10)6-5-11(16)17/h10H,5-9H2,1-4H3,(H,16,17)/t10-/m0/s1
InChIKey
WTDJNKSAVVRASP-JTQLQIEISA-N
Compound name
3-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1736 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 164.7
[M+Na]+ 295.16282 172.0
[M+NH4]+ 290.20742 168.7
[M+K]+ 311.13676 169.8
[M-H]- 271.16632 161.6
[M+Na-2H]- 293.14827 165.0
[M]+ 272.17305 164.4
[M]- 272.17415 164.4
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.