CID 6006405

Piperazine, 1-acetyl-4-(phenylallyl)-, hydrochloride

Structural Information

Molecular Formula
C15H20N2O
SMILES
CC(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C15H20N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-8H,9-13H2,1H3/b8-5+
InChIKey
IXFLEYAVUQUPCA-VMPITWQZSA-N
Compound name
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

244.15756 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 159.6
[M+Na]+ 267.146778 164.0
[M-H]- 243.150284 162.1
[M+NH4]+ 262.191383 173.7
[M+K]+ 283.120718 159.9
[M+H-H2O]+ 227.154820 150.3
[M+HCOO]- 289.155761 176.2
[M+CH3COO]- 303.171411 192.4
[M+Na-2H]- 265.132226 162.2
[M]+ 244.15701142 155.3
[M]- 244.15810858 155.3
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

patents stripe