CID 636980

17635-59-5

Structural Information

Molecular Formula
C15H16O2
SMILES
COC1=CC(=CC(=C1)O)CCC2=CC=CC=C2
InChI
InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3
InChIKey
HPEFWCAKFRCLBD-UHFFFAOYSA-N
Compound name
3-methoxy-5-(2-phenylethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

54
Patents

228.11504 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12232 150.9
[M+Na]+ 251.10426 158.5
[M-H]- 227.10776 156.5
[M+NH4]+ 246.14886 168.4
[M+K]+ 267.07820 154.6
[M+H-H2O]+ 211.11230 143.9
[M+HCOO]- 273.11324 174.0
[M+CH3COO]- 287.12889 188.8
[M+Na-2H]- 249.08971 156.6
[M]+ 228.11449 152.1
[M]- 228.11559 152.1
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