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

21
Patents

272.14124 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.148516 164.1
[M+Na]+ 295.130458 169.4
[M-H]- 271.133964 168.9
[M+NH4]+ 290.175063 179.3
[M+K]+ 311.104398 166.1
[M+H-H2O]+ 255.138500 156.1
[M+HCOO]- 317.139441 185.6
[M+CH3COO]- 331.155091 196.5
[M+Na-2H]- 293.115906 168.1
[M]+ 272.14069142 166.4
[M]- 272.14178858 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