CID 3038584

41634-04-2

Structural Information

Molecular Formula
C18H23NO2
SMILES
C1CCN(CC1)C2CCCC(C2=O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H23NO2/c20-17(14-8-3-1-4-9-14)15-10-7-11-16(18(15)21)19-12-5-2-6-13-19/h1,3-4,8-9,15-16H,2,5-7,10-13H2
InChIKey
WNVAOTJJVKWDGO-UHFFFAOYSA-N
Compound name
2-benzoyl-6-piperidin-1-ylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 169.0
[M+Na]+ 308.16210 170.8
[M-H]- 284.16560 175.1
[M+NH4]+ 303.20670 181.9
[M+K]+ 324.13604 166.8
[M+H-H2O]+ 268.17014 159.1
[M+HCOO]- 330.17108 183.0
[M+CH3COO]- 344.18673 200.4
[M+Na-2H]- 306.14755 168.5
[M]+ 285.17233 160.1
[M]- 285.17343 160.1
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.