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]+ 243.13796 155.9
[M+Na]+ 265.11990 162.2
[M-H]- 241.12340 162.3
[M+NH4]+ 260.16450 173.1
[M+K]+ 281.09384 159.5
[M+H-H2O]+ 225.12794 148.2
[M+HCOO]- 287.12888 179.1
[M+CH3COO]- 301.14453 194.1
[M+Na-2H]- 263.10535 160.9
[M]+ 242.13013 158.3
[M]- 242.13123 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.