CID 760213

77251-48-0

Structural Information

Molecular Formula
C16H23NO
SMILES
CC(C)C(=O)N1CCC(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C16H23NO/c1-13(2)16(18)17-10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKey
VACPZZBFCLJGKU-UHFFFAOYSA-N
Compound name
1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

4
Patents

245.17796 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 160.7
[M+Na]+ 268.16718 172.6
[M+NH4]+ 263.21178 169.0
[M+K]+ 284.14112 165.4
[M-H]- 244.17068 164.3
[M+Na-2H]- 266.15263 167.3
[M]+ 245.17741 163.3
[M]- 245.17851 163.3
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