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]+ 276.159406 160.4
[M+Na]+ 298.141348 162.4
[M-H]- 274.144854 165.5
[M+NH4]+ 293.185953 173.5
[M+K]+ 314.115288 164.9
[M+H-H2O]+ 258.149390 152.7
[M+HCOO]- 320.150331 177.0
[M+CH3COO]- 334.165981 199.1
[M+Na-2H]- 296.126796 161.4
[M]+ 275.15158142 155.4
[M]- 275.15267858 155.4
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.