CID 262634

1-phenyl-5-piperidin-1-ylpentan-1-one

Structural Information

Molecular Formula
C16H23NO
SMILES
C1CCN(CC1)CCCCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO/c18-16(15-9-3-1-4-10-15)11-5-8-14-17-12-6-2-7-13-17/h1,3-4,9-10H,2,5-8,11-14H2
InChIKey
GWUYQKPGTWRLGK-UHFFFAOYSA-N
Compound name
1-phenyl-5-piperidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

41
Patents

245.17796 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 160.4
[M+Na]+ 268.16718 162.9
[M-H]- 244.17068 163.7
[M+NH4]+ 263.21178 175.4
[M+K]+ 284.14112 159.4
[M+H-H2O]+ 228.17522 151.5
[M+HCOO]- 290.17616 177.8
[M+CH3COO]- 304.19181 193.7
[M+Na-2H]- 266.15263 163.1
[M]+ 245.17741 156.4
[M]- 245.17851 156.4
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