CID 563567

4-benzyloxy-3-methoxystyrene

Structural Information

Molecular Formula
C16H16O2
SMILES
COC1=C(C=CC(=C1)C=C)OCC2=CC=CC=C2
InChI
InChI=1S/C16H16O2/c1-3-13-9-10-15(16(11-13)17-2)18-12-14-7-5-4-6-8-14/h3-11H,1,12H2,2H3
InChIKey
DPAUCHAAEWIRKG-UHFFFAOYSA-N
Compound name
4-ethenyl-2-methoxy-1-phenylmethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

602
Patents

240.11504 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.122316 153.9
[M+Na]+ 263.104258 161.8
[M-H]- 239.107764 160.7
[M+NH4]+ 258.148863 171.5
[M+K]+ 279.078198 158.0
[M+H-H2O]+ 223.112300 146.4
[M+HCOO]- 285.113241 178.3
[M+CH3COO]- 299.128891 193.5
[M+Na-2H]- 261.089706 159.5
[M]+ 240.11449142 156.6
[M]- 240.11558858 156.6
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