CID 736184

4'-benzyloxy-2'-methoxy-3'-methylacetophenone

Structural Information

Molecular Formula
C17H18O3
SMILES
CC1=C(C=CC(=C1OC)C(=O)C)OCC2=CC=CC=C2
InChI
InChI=1S/C17H18O3/c1-12-16(20-11-14-7-5-4-6-8-14)10-9-15(13(2)18)17(12)19-3/h4-10H,11H2,1-3H3
InChIKey
ARIPVVKYYGZBBM-UHFFFAOYSA-N
Compound name
1-(2-methoxy-3-methyl-4-phenylmethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

270.12558 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.132856 161.4
[M+Na]+ 293.114798 169.3
[M-H]- 269.118304 168.5
[M+NH4]+ 288.159403 177.9
[M+K]+ 309.088738 166.5
[M+H-H2O]+ 253.122840 153.7
[M+HCOO]- 315.123781 184.6
[M+CH3COO]- 329.139431 200.6
[M+Na-2H]- 291.100246 164.5
[M]+ 270.12503142 165.7
[M]- 270.12612858 165.7
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

patents stripe