CID 3024710

96863-70-6

Structural Information

Molecular Formula
C18H20O3
SMILES
CC(C)(C(C1=CC=C(C=C1)OC)O)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H20O3/c1-18(2,16(19)13-7-5-4-6-8-13)17(20)14-9-11-15(21-3)12-10-14/h4-12,17,20H,1-3H3
InChIKey
JDXIMSAZKIQHCL-UHFFFAOYSA-N
Compound name
3-hydroxy-3-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.14124 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14852 166.6
[M+Na]+ 307.13046 171.9
[M-H]- 283.13396 171.7
[M+NH4]+ 302.17506 181.2
[M+K]+ 323.10440 168.9
[M+H-H2O]+ 267.13850 159.4
[M+HCOO]- 329.13944 185.4
[M+CH3COO]- 343.15509 200.0
[M+Na-2H]- 305.11591 169.8
[M]+ 284.14069 167.5
[M]- 284.14179 167.5
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

No patent data available for this compound.