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]+ 276.170676 166.9
[M+Na]+ 298.152618 171.1
[M-H]- 274.156124 167.9
[M+NH4]+ 293.197223 178.2
[M+K]+ 314.126558 167.4
[M+H-H2O]+ 258.160660 156.4
[M+HCOO]- 320.161601 182.3
[M+CH3COO]- 334.177251 197.9
[M+Na-2H]- 296.138066 169.5
[M]+ 275.16285142 164.6
[M]- 275.16394858 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.