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]+ 250.15500 159.2
[M+Na]+ 272.13694 164.0
[M-H]- 248.14044 160.6
[M+NH4]+ 267.18154 171.7
[M+K]+ 288.11088 161.4
[M+H-H2O]+ 232.14498 149.0
[M+HCOO]- 294.14592 175.1
[M+CH3COO]- 308.16157 192.8
[M+Na-2H]- 270.12239 162.9
[M]+ 249.14717 156.9
[M]- 249.14827 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.