CID 736185

4'-benzyloxy-2'-hydroxy-3'-methylacetophenone

Structural Information

Molecular Formula
C16H16O3
SMILES
CC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=CC=C2
InChI
InChI=1S/C16H16O3/c1-11-15(9-8-14(12(2)17)16(11)18)19-10-13-6-4-3-5-7-13/h3-9,18H,10H2,1-2H3
InChIKey
PWGVUHPMXRYALX-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

166
Patents

256.10995 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 157.2
[M+Na]+ 279.09917 165.2
[M-H]- 255.10267 163.1
[M+NH4]+ 274.14377 173.6
[M+K]+ 295.07311 161.7
[M+H-H2O]+ 239.10721 150.1
[M+HCOO]- 301.10815 179.3
[M+CH3COO]- 315.12380 195.1
[M+Na-2H]- 277.08462 160.5
[M]+ 256.10940 159.3
[M]- 256.11050 159.3
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