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

180
Patents

216.12627 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 151.2
[M+Na]+ 239.115488 155.1
[M-H]- 215.118994 152.4
[M+NH4]+ 234.160093 165.5
[M+K]+ 255.089428 150.7
[M+H-H2O]+ 199.123530 142.4
[M+HCOO]- 261.124471 167.0
[M+CH3COO]- 275.140121 182.7
[M+Na-2H]- 237.100936 155.2
[M]+ 216.12572142 144.0
[M]- 216.12681858 144.0
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