CID 55385

1-(4-cyclopentylphenyl)-2-(1-piperidinyl)ethanone (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C18H25NO
SMILES
C1CCN(CC1)CC(=O)C2=CC=C(C=C2)C3CCCC3
InChI
InChI=1S/C18H25NO/c20-18(14-19-12-4-1-5-13-19)17-10-8-16(9-11-17)15-6-2-3-7-15/h8-11,15H,1-7,12-14H2
InChIKey
BZQLNQWUOSRXJM-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-2-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1936 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 169.1
[M+Na]+ 294.18282 179.9
[M+NH4]+ 289.22742 177.9
[M+K]+ 310.15676 173.7
[M-H]- 270.18632 174.3
[M+Na-2H]- 292.16827 175.9
[M]+ 271.19305 171.9
[M]- 271.19415 171.9
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.