CID 106966

1-methoxy-1-(4-methylphenoxy)-2-phenylethane

Structural Information

Molecular Formula
C16H18O2
SMILES
CC1=CC=C(C=C1)OC(CC2=CC=CC=C2)OC
InChI
InChI=1S/C16H18O2/c1-13-8-10-15(11-9-13)18-16(17-2)12-14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3
InChIKey
GFMSXKLOLOPYPJ-UHFFFAOYSA-N
Compound name
1-(1-methoxy-2-phenylethoxy)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.13068 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.137956 155.9
[M+Na]+ 265.119898 162.2
[M-H]- 241.123404 162.3
[M+NH4]+ 260.164503 173.1
[M+K]+ 281.093838 159.5
[M+H-H2O]+ 225.127940 148.2
[M+HCOO]- 287.128881 179.1
[M+CH3COO]- 301.144531 194.1
[M+Na-2H]- 263.105346 160.9
[M]+ 242.13013142 158.3
[M]- 242.13122858 158.3
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.