CID 299608

N-acetyl-4-benzylpiperidine

Structural Information

Molecular Formula
C14H19NO
SMILES
CC(=O)N1CCC(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C14H19NO/c1-12(16)15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3
InChIKey
BKQOKWBHIBQLIH-UHFFFAOYSA-N
Compound name
1-(4-benzylpiperidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

43
Patents

217.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 151.2
[M+Na]+ 240.13589 155.7
[M-H]- 216.13939 155.5
[M+NH4]+ 235.18049 167.9
[M+K]+ 256.10983 152.8
[M+H-H2O]+ 200.14393 143.1
[M+HCOO]- 262.14487 169.4
[M+CH3COO]- 276.16052 188.2
[M+Na-2H]- 238.12134 154.4
[M]+ 217.14612 146.9
[M]- 217.14722 146.9
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