CID 833228

4-oxo-4-piperazin-1-yl-butyric acid

Structural Information

Molecular Formula
C8H14N2O3
SMILES
C1CN(CCN1)C(=O)CCC(=O)O
InChI
InChI=1S/C8H14N2O3/c11-7(1-2-8(12)13)10-5-3-9-4-6-10/h9H,1-6H2,(H,12,13)
InChIKey
XBPFUNIGMQMISX-UHFFFAOYSA-N
Compound name
4-oxo-4-piperazin-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

75
Patents

186.10045 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.107726 142.4
[M+Na]+ 209.089668 146.3
[M-H]- 185.093174 139.4
[M+NH4]+ 204.134273 157.4
[M+K]+ 225.063608 144.6
[M+H-H2O]+ 169.097710 135.4
[M+HCOO]- 231.098651 156.4
[M+CH3COO]- 245.114301 175.1
[M+Na-2H]- 207.075116 144.7
[M]+ 186.09990142 136.5
[M]- 186.10099858 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe