CID 5702792

1-cinnamoylpiperazine

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CN(CCN1)C(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C13H16N2O/c16-13(15-10-8-14-9-11-15)7-6-12-4-2-1-3-5-12/h1-7,14H,8-11H2/b7-6+
InChIKey
DLCYXQODDJUHQL-VOTSOKGWSA-N
Compound name
(E)-3-phenyl-1-piperazin-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

216.12627 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 152.2
[M+Na]+ 239.11549 163.9
[M+NH4]+ 234.16009 159.6
[M+K]+ 255.08943 156.8
[M-H]- 215.11899 154.3
[M+Na-2H]- 237.10094 158.8
[M]+ 216.12572 154.2
[M]- 216.12682 154.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe