CID 98832

33693-48-0

Structural Information

Molecular Formula
C15H16O3
SMILES
COC1=C(C=CC(=C1)CO)OCC2=CC=CC=C2
InChI
InChI=1S/C15H16O3/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3
InChIKey
PDBXFVPMVYQICB-UHFFFAOYSA-N
Compound name
(3-methoxy-4-phenylmethoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

178
Patents

244.10994 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.117216 154.2
[M+Na]+ 267.099158 161.7
[M-H]- 243.102664 159.8
[M+NH4]+ 262.143763 171.0
[M+K]+ 283.073098 158.4
[M+H-H2O]+ 227.107200 146.8
[M+HCOO]- 289.108141 177.4
[M+CH3COO]- 303.123791 190.8
[M+Na-2H]- 265.084606 159.9
[M]+ 244.10939142 156.8
[M]- 244.11048858 156.8
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