CID 13723654

1-piperazinepropionic acid, beta-methyl-4-(2-pyridinyl)-, methyl ester, 2-butenedioate (1:2)

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CC(CC(=O)OC)N1CCN(CC1)C2=CC=CC=N2
InChI
InChI=1S/C14H21N3O2/c1-12(11-14(18)19-2)16-7-9-17(10-8-16)13-5-3-4-6-15-13/h3-6,12H,7-11H2,1-2H3
InChIKey
VVJZPHNRXGQUFE-UHFFFAOYSA-N
Compound name
methyl 3-(4-pyridin-2-ylpiperazin-1-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1634 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 163.0
[M+Na]+ 286.15262 174.2
[M+NH4]+ 281.19722 169.3
[M+K]+ 302.12656 168.7
[M-H]- 262.15612 164.3
[M+Na-2H]- 284.13807 168.7
[M]+ 263.16285 164.7
[M]- 263.16395 164.7
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.