CID 89689716

2-{4-[(tert-butoxy)carbonyl]-2-oxopiperazin-1-yl}propanoic acid

Structural Information

Molecular Formula
C12H20N2O5
SMILES
CC(C(=O)O)N1CCN(CC1=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H20N2O5/c1-8(10(16)17)14-6-5-13(7-9(14)15)11(18)19-12(2,3)4/h8H,5-7H2,1-4H3,(H,16,17)
InChIKey
IYLXSDCYHQDJFQ-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

272.1372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14448 160.7
[M+Na]+ 295.12642 165.7
[M-H]- 271.12992 159.7
[M+NH4]+ 290.17102 173.6
[M+K]+ 311.10036 165.6
[M+H-H2O]+ 255.13446 154.3
[M+HCOO]- 317.13540 173.0
[M+CH3COO]- 331.15105 195.6
[M+Na-2H]- 293.11187 160.5
[M]+ 272.13665 160.0
[M]- 272.13775 160.0
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

patents stripe