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]+ 231.13394 153.4
[M+Na]+ 253.11588 157.2
[M-H]- 229.11938 150.4
[M+NH4]+ 248.16048 166.8
[M+K]+ 269.08982 155.7
[M+H-H2O]+ 213.12392 146.1
[M+HCOO]- 275.12486 166.9
[M+CH3COO]- 289.14051 184.5
[M+Na-2H]- 251.10133 154.1
[M]+ 230.12611 150.1
[M]- 230.12721 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