CID 99215

1-(4-benzyloxy-3-methoxy-phenyl)-ethanone

Structural Information

Molecular Formula
C16H16O3
SMILES
CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
InChI
InChI=1S/C16H16O3/c1-12(17)14-8-9-15(16(10-14)18-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKey
HRUAWSQBQLYDKH-UHFFFAOYSA-N
Compound name
1-(3-methoxy-4-phenylmethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

266
Patents

256.10995 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.117226 157.4
[M+Na]+ 279.099168 164.8
[M-H]- 255.102674 164.2
[M+NH4]+ 274.143773 174.2
[M+K]+ 295.073108 162.1
[M+H-H2O]+ 239.107210 149.7
[M+HCOO]- 301.108151 180.9
[M+CH3COO]- 315.123801 196.4
[M+Na-2H]- 277.084616 161.7
[M]+ 256.10940142 160.9
[M]- 256.11049858 160.9
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