CID 54593523

1240619-73-1

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(C)(C)C(=O)O
InChI
InChI=1S/C13H24N2O4/c1-12(2,3)19-11(18)14-6-8-15(9-7-14)13(4,5)10(16)17/h6-9H2,1-5H3,(H,16,17)
InChIKey
SXMRPRGMUNAZJA-UHFFFAOYSA-N
Compound name
2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

272.1736 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 164.6
[M+Na]+ 295.16282 168.7
[M-H]- 271.16632 163.3
[M+NH4]+ 290.20742 177.6
[M+K]+ 311.13676 168.4
[M+H-H2O]+ 255.17086 158.4
[M+HCOO]- 317.17180 175.6
[M+CH3COO]- 331.18745 195.5
[M+Na-2H]- 293.14827 166.6
[M]+ 272.17305 163.3
[M]- 272.17415 163.3
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

patents stripe