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

17
Patents

272.1372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.144476 160.7
[M+Na]+ 295.126418 165.7
[M-H]- 271.129924 159.7
[M+NH4]+ 290.171023 173.6
[M+K]+ 311.100358 165.6
[M+H-H2O]+ 255.134460 154.3
[M+HCOO]- 317.135401 173.0
[M+CH3COO]- 331.151051 195.6
[M+Na-2H]- 293.111866 160.5
[M]+ 272.13665142 160.0
[M]- 272.13774858 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