CID 851827

4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid

Structural Information

Molecular Formula
C10H16N2O4
SMILES
CC(=O)N1CCN(CC1)C(=O)CCC(=O)O
InChI
InChI=1S/C10H16N2O4/c1-8(13)11-4-6-12(7-5-11)9(14)2-3-10(15)16/h2-7H2,1H3,(H,15,16)
InChIKey
RSAMZHWOFXKAGI-UHFFFAOYSA-N
Compound name
4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

17
Patents

228.11101 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.118286 151.1
[M+Na]+ 251.100228 155.6
[M-H]- 227.103734 149.7
[M+NH4]+ 246.144833 165.3
[M+K]+ 267.074168 154.8
[M+H-H2O]+ 211.108270 143.9
[M+HCOO]- 273.109211 165.4
[M+CH3COO]- 287.124861 186.4
[M+Na-2H]- 249.085676 151.2
[M]+ 228.11046142 148.3
[M]- 228.11155858 148.3
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