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

811
Patents

202.147 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.154276 148.6
[M+Na]+ 225.136218 152.4
[M-H]- 201.139724 149.5
[M+NH4]+ 220.180823 163.5
[M+K]+ 241.110158 147.6
[M+H-H2O]+ 185.144260 139.7
[M+HCOO]- 247.145201 165.0
[M+CH3COO]- 261.160851 181.3
[M+Na-2H]- 223.121666 153.7
[M]+ 202.14645142 141.3
[M]- 202.14754858 141.3
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.