CID 12418339

1-[2-(benzyloxy)-4-methylphenyl]ethanone

Structural Information

Molecular Formula
C16H16O2
SMILES
CC1=CC(=C(C=C1)C(=O)C)OCC2=CC=CC=C2
InChI
InChI=1S/C16H16O2/c1-12-8-9-15(13(2)17)16(10-12)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKey
CLKKXBAHOASWCP-UHFFFAOYSA-N
Compound name
1-(4-methyl-2-phenylmethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

240.11504 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 154.8
[M+Na]+ 263.10426 170.0
[M+NH4]+ 258.14886 163.7
[M+K]+ 279.07820 161.9
[M-H]- 239.10776 159.7
[M+Na-2H]- 261.08971 164.4
[M]+ 240.11449 158.5
[M]- 240.11559 158.5
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

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