CID 3017260

61439-59-6

Structural Information

Molecular Formula
C15H16O2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)CCO
InChI
InChI=1S/C15H16O2/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9,16H,10-12H2
InChIKey
JCUJAHLWCDISCC-UHFFFAOYSA-N
Compound name
2-(4-phenylmethoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

650
Patents

228.11504 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12232 151.2
[M+Na]+ 251.10426 157.8
[M-H]- 227.10776 156.3
[M+NH4]+ 246.14886 168.4
[M+K]+ 267.07820 153.9
[M+H-H2O]+ 211.11230 143.9
[M+HCOO]- 273.11324 174.2
[M+CH3COO]- 287.12889 187.6
[M+Na-2H]- 249.08971 157.6
[M]+ 228.11449 152.0
[M]- 228.11559 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe