CID 5863440

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

Structural Information

Molecular Formula
C18H26N2O
SMILES
CCCCC(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H26N2O/c1-2-3-11-18(21)20-15-13-19(14-16-20)12-7-10-17-8-5-4-6-9-17/h4-10H,2-3,11-16H2,1H3/b10-7+
InChIKey
VOEGLPRHVHRZFC-JXMROGBWSA-N
Compound name
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.211776 173.0
[M+Na]+ 309.193718 176.0
[M-H]- 285.197224 174.9
[M+NH4]+ 304.238323 185.4
[M+K]+ 325.167658 171.3
[M+H-H2O]+ 269.201760 163.0
[M+HCOO]- 331.202701 188.6
[M+CH3COO]- 345.218351 201.4
[M+Na-2H]- 307.179166 173.9
[M]+ 286.20395142 169.7
[M]- 286.20504858 169.7
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.