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

10
Patents

263.12698 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.134256 161.0
[M+Na]+ 286.116198 165.3
[M-H]- 262.119704 161.2
[M+NH4]+ 281.160803 171.9
[M+K]+ 302.090138 162.3
[M+H-H2O]+ 246.124240 151.3
[M+HCOO]- 308.125181 174.9
[M+CH3COO]- 322.140831 192.5
[M+Na-2H]- 284.101646 163.3
[M]+ 263.12643142 157.0
[M]- 263.12752858 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

literature stripe

Patent stripe

patents stripe