CID 106970

2-methoxy-2-(1-phenylethoxy)ethylbenzene

Structural Information

Molecular Formula
C17H20O2
SMILES
CC(C1=CC=CC=C1)OC(CC2=CC=CC=C2)OC
InChI
InChI=1S/C17H20O2/c1-14(16-11-7-4-8-12-16)19-17(18-2)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3
InChIKey
KZICCFIGLAANHL-UHFFFAOYSA-N
Compound name
1-(1-methoxy-2-phenylethoxy)ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.14633 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.15361 161.3
[M+Na]+ 279.13555 165.9
[M-H]- 255.13905 167.2
[M+NH4]+ 274.18015 177.5
[M+K]+ 295.10949 163.3
[M+H-H2O]+ 239.14359 153.2
[M+HCOO]- 301.14453 183.0
[M+CH3COO]- 315.16018 196.8
[M+Na-2H]- 277.12100 165.2
[M]+ 256.14578 162.9
[M]- 256.14688 162.9
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.