CID 13723649

1-piperazinepropionic acid, 4-(2-pyridinyl)-, methyl ester, hydrochloride

Structural Information

Molecular Formula
C13H19N3O2
SMILES
COC(=O)CCN1CCN(CC1)C2=CC=CC=N2
InChI
InChI=1S/C13H19N3O2/c1-18-13(17)5-7-15-8-10-16(11-9-15)12-4-2-3-6-14-12/h2-4,6H,5,7-11H2,1H3
InChIKey
ZGVUDFQJLQBVKM-UHFFFAOYSA-N
Compound name
methyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.14772 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.154996 159.2
[M+Na]+ 272.136938 164.0
[M-H]- 248.140444 160.6
[M+NH4]+ 267.181543 171.7
[M+K]+ 288.110878 161.4
[M+H-H2O]+ 232.144980 149.0
[M+HCOO]- 294.145921 175.1
[M+CH3COO]- 308.161571 192.8
[M+Na-2H]- 270.122386 162.9
[M]+ 249.14717142 156.9
[M]- 249.14826858 156.9
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.