CID 139596843

Dtxsid201028716

Structural Information

Molecular Formula
C19H24O3
SMILES
CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)O
InChI
InChI=1S/C19H24O3/c1-4-22-18-10-8-16(9-11-18)19(2,3)14-21-13-15-6-5-7-17(20)12-15/h5-12,20H,4,13-14H2,1-3H3
InChIKey
QVRFIAXQXKODFV-UHFFFAOYSA-N
Compound name
3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

300.17255 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17983 173.0
[M+Na]+ 323.16177 179.0
[M-H]- 299.16527 178.0
[M+NH4]+ 318.20637 187.5
[M+K]+ 339.13571 175.4
[M+H-H2O]+ 283.16981 165.3
[M+HCOO]- 345.17075 193.2
[M+CH3COO]- 359.18640 203.2
[M+Na-2H]- 321.14722 177.2
[M]+ 300.17200 176.5
[M]- 300.17310 176.5
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

No patent data available for this compound.