CID 2051425

4-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-4-oxo-butyric acid

Structural Information

Molecular Formula
C10H18N2O4
SMILES
C1CN(CCN1CCO)C(=O)CCC(=O)O
InChI
InChI=1S/C10H18N2O4/c13-8-7-11-3-5-12(6-4-11)9(14)1-2-10(15)16/h13H,1-8H2,(H,15,16)
InChIKey
NZOSAPDTJDBHFA-UHFFFAOYSA-N
Compound name
4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

230.12666 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.133936 153.4
[M+Na]+ 253.115878 157.2
[M-H]- 229.119384 150.4
[M+NH4]+ 248.160483 166.8
[M+K]+ 269.089818 155.7
[M+H-H2O]+ 213.123920 146.1
[M+HCOO]- 275.124861 166.9
[M+CH3COO]- 289.140511 184.5
[M+Na-2H]- 251.101326 154.1
[M]+ 230.12611142 150.1
[M]- 230.12720858 150.1
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