CID 1214726

22141-31-7

Structural Information

Molecular Formula
C16H16O3
SMILES
COC1=CC(=C(C=C1)C(=O)CCC2=CC=CC=C2)O
InChI
InChI=1S/C16H16O3/c1-19-13-8-9-14(16(18)11-13)15(17)10-7-12-5-3-2-4-6-12/h2-6,8-9,11,18H,7,10H2,1H3
InChIKey
FQCZZYGBJVMLOG-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

3
Patents

256.10995 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 157.8
[M+Na]+ 279.09917 164.8
[M-H]- 255.10267 163.3
[M+NH4]+ 274.14377 173.9
[M+K]+ 295.07311 161.2
[M+H-H2O]+ 239.10721 150.4
[M+HCOO]- 301.10815 179.9
[M+CH3COO]- 315.12380 193.9
[M+Na-2H]- 277.08462 161.7
[M]+ 256.10940 159.5
[M]- 256.11050 159.5
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

patents stripe