CID 778763

102207-07-8

Structural Information

Molecular Formula
C17H23NO
SMILES
C1CCN(CC1)C(=O)C2(CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C17H23NO/c19-16(18-13-7-2-8-14-18)17(11-5-6-12-17)15-9-3-1-4-10-15/h1,3-4,9-10H,2,5-8,11-14H2
InChIKey
HQFHUOULUZHWII-UHFFFAOYSA-N
Compound name
(1-phenylcyclopentyl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

257.17798 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.185256 164.3
[M+Na]+ 280.167198 166.7
[M-H]- 256.170704 170.9
[M+NH4]+ 275.211803 182.2
[M+K]+ 296.141138 163.1
[M+H-H2O]+ 240.175240 155.3
[M+HCOO]- 302.176181 180.7
[M+CH3COO]- 316.191831 174.0
[M+Na-2H]- 278.152646 164.8
[M]+ 257.17743142 156.1
[M]- 257.17852858 156.1
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