CID 258312

3-(4-phenylpiperazin-1-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1CN(CCN1CCC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C13H18N2O2/c16-13(17)6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17)
InChIKey
JUXGOBSASOVDKO-UHFFFAOYSA-N
Compound name
3-(4-phenylpiperazin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

234.13683 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 154.8
[M+Na]+ 257.126048 159.1
[M-H]- 233.129554 156.2
[M+NH4]+ 252.170653 168.5
[M+K]+ 273.099988 155.8
[M+H-H2O]+ 217.134090 145.9
[M+HCOO]- 279.135031 170.6
[M+CH3COO]- 293.150681 188.1
[M+Na-2H]- 255.111496 158.0
[M]+ 234.13628142 150.2
[M]- 234.13737858 150.2
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

patents stripe