CID 13723650

1-piperazinepropionic acid, 4-(2-pyridinyl)-, ethyl ester, hydrochloride, hydrate (1:2:1)

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CCOC(=O)CCN1CCN(CC1)C2=CC=CC=N2
InChI
InChI=1S/C14H21N3O2/c1-2-19-14(18)6-8-16-9-11-17(12-10-16)13-5-3-4-7-15-13/h3-5,7H,2,6,8-12H2,1H3
InChIKey
UMPZELFHQBANSF-UHFFFAOYSA-N
Compound name
ethyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1634 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 163.6
[M+Na]+ 286.15262 168.0
[M-H]- 262.15612 164.8
[M+NH4]+ 281.19722 175.5
[M+K]+ 302.12656 165.1
[M+H-H2O]+ 246.16066 153.2
[M+HCOO]- 308.16160 179.2
[M+CH3COO]- 322.17725 195.7
[M+Na-2H]- 284.13807 166.8
[M]+ 263.16285 161.7
[M]- 263.16395 161.7
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.