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 165.5
[M+Na]+ 295.16282 170.1
[M-H]- 271.16632 164.2
[M+NH4]+ 290.20742 178.6
[M+K]+ 311.13676 169.2
[M+H-H2O]+ 255.17086 158.7
[M+HCOO]- 317.17180 178.0
[M+CH3COO]- 331.18745 196.3
[M+Na-2H]- 293.14827 165.6
[M]+ 272.17305 165.0
[M]- 272.17415 165.0
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.