CID 35751

31188-99-5

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCCCC2
InChI
InChI=1S/C15H19NO3/c1-12(17)13-5-7-14(8-6-13)19-11-15(18)16-9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3
InChIKey
HFHLKKYWNAOHCI-UHFFFAOYSA-N
Compound name
2-(4-acetylphenoxy)-1-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

0
Patents

261.1365 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 160.6
[M+Na]+ 284.12572 164.5
[M-H]- 260.12922 164.7
[M+NH4]+ 279.17032 175.1
[M+K]+ 300.09966 162.3
[M+H-H2O]+ 244.13376 152.1
[M+HCOO]- 306.13470 178.0
[M+CH3COO]- 320.15035 195.3
[M+Na-2H]- 282.11117 162.1
[M]+ 261.13595 158.2
[M]- 261.13705 158.2
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