CID 735783

4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butanoic acid

Structural Information

Molecular Formula
C13H17N3O3
SMILES
C1CN(CCN1C2=CC=CC=N2)C(=O)CCC(=O)O
InChI
InChI=1S/C13H17N3O3/c17-12(4-5-13(18)19)16-9-7-15(8-10-16)11-3-1-2-6-14-11/h1-3,6H,4-5,7-10H2,(H,18,19)
InChIKey
XMGUUCBOUCQYNW-UHFFFAOYSA-N
Compound name
4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

263.12698 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13426 161.0
[M+Na]+ 286.11620 165.3
[M-H]- 262.11970 161.2
[M+NH4]+ 281.16080 171.9
[M+K]+ 302.09014 162.3
[M+H-H2O]+ 246.12424 151.3
[M+HCOO]- 308.12518 174.9
[M+CH3COO]- 322.14083 192.5
[M+Na-2H]- 284.10165 163.3
[M]+ 263.12643 157.0
[M]- 263.12753 157.0
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

No patent data available for this compound.