CID 34758

29936-71-8

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCCCCC2
InChI
InChI=1S/C16H21NO3/c1-13(18)14-6-8-15(9-7-14)20-12-16(19)17-10-4-2-3-5-11-17/h6-9H,2-5,10-12H2,1H3
InChIKey
DMQAICWZFPRRFO-UHFFFAOYSA-N
Compound name
2-(4-acetylphenoxy)-1-(azepan-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 163.4
[M+Na]+ 298.14135 172.2
[M+NH4]+ 293.18595 169.4
[M+K]+ 314.11529 168.0
[M-H]- 274.14485 165.2
[M+Na-2H]- 296.12680 168.6
[M]+ 275.15158 164.9
[M]- 275.15268 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.