CID 13723652

1-piperazinepropionic acid, 4-(2-pyridinyl)-, allyl ester, dihydrochloride

Structural Information

Molecular Formula
C15H21N3O2
SMILES
C=CCOC(=O)CCN1CCN(CC1)C2=CC=CC=N2
InChI
InChI=1S/C15H21N3O2/c1-2-13-20-15(19)6-8-17-9-11-18(12-10-17)14-5-3-4-7-16-14/h2-5,7H,1,6,8-13H2
InChIKey
RAJCKRMXGXSNSJ-UHFFFAOYSA-N
Compound name
prop-2-enyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.1634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17068 166.9
[M+Na]+ 298.15262 171.1
[M-H]- 274.15612 167.9
[M+NH4]+ 293.19722 178.2
[M+K]+ 314.12656 167.4
[M+H-H2O]+ 258.16066 156.4
[M+HCOO]- 320.16160 182.3
[M+CH3COO]- 334.17725 197.9
[M+Na-2H]- 296.13807 169.5
[M]+ 275.16285 164.6
[M]- 275.16395 164.6
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.