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
3
Annotation Hits

0
References

19
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 164.1
[M+Na]+ 295.13046 169.4
[M-H]- 271.13396 168.9
[M+NH4]+ 290.17506 179.3
[M+K]+ 311.10440 166.1
[M+H-H2O]+ 255.13850 156.1
[M+HCOO]- 317.13944 185.6
[M+CH3COO]- 331.15509 196.5
[M+Na-2H]- 293.11591 168.1
[M]+ 272.14069 166.4
[M]- 272.14179 166.4
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