CID 726896

1-cinnamylpiperazine

Structural Information

Molecular Formula

C₁₃H₁₈N₂

SMILES

C1CN(CCN1)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C13H18N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-7,14H,8-12H2/b7-4+

InChIKey

WGEIOMTZIIOUMA-QPJJXVBHSA-N

Compound name

1-[(E)-3-phenylprop-2-enyl]piperazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 743
Patents: 202.147 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.15428	148.6
[M+Na]+	225.13622	152.4
[M-H]-	201.13972	149.5
[M+NH4]+	220.18082	163.5
[M+K]+	241.11016	147.6
[M+H-H2O]+	185.14426	139.7
[M+HCOO]-	247.14520	165.0
[M+CH3COO]-	261.16085	181.3
[M+Na-2H]-	223.12167	153.7
[M]+	202.14645	141.3
[M]-	202.14755	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe