CID 166400

2-(4-methylphenoxy)-1-(2-phenylethoxy)ethanol

Structural Information

Molecular Formula
C17H20O3
SMILES
CC1=CC=C(C=C1)OCC(O)OCCC2=CC=CC=C2
InChI
InChI=1S/C17H20O3/c1-14-7-9-16(10-8-14)20-13-17(18)19-12-11-15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3
InChIKey
DHQFANPUVQZDMT-UHFFFAOYSA-N
Compound name
2-(4-methylphenoxy)-1-(2-phenylethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

272.14124 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14852 164.5
[M+Na]+ 295.13046 178.0
[M+NH4]+ 290.17506 172.5
[M+K]+ 311.10440 170.3
[M-H]- 271.13396 168.4
[M+Na-2H]- 293.11591 172.9
[M]+ 272.14069 167.6
[M]- 272.14179 167.6
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

patents stripe