CID 316724

4356-69-8

Structural Information

Molecular Formula
C16H16O2
SMILES
COC1=CC=C(C=C1)C(=C)C2=CC=C(C=C2)OC
InChI
InChI=1S/C16H16O2/c1-12(13-4-8-15(17-2)9-5-13)14-6-10-16(18-3)11-7-14/h4-11H,1H2,2-3H3
InChIKey
OTWNHTGTCBAVGG-UHFFFAOYSA-N
Compound name
1-methoxy-4-[1-(4-methoxyphenyl)ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

102
Patents

240.11504 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 153.9
[M+Na]+ 263.10426 161.5
[M-H]- 239.10776 160.9
[M+NH4]+ 258.14886 171.5
[M+K]+ 279.07820 158.2
[M+H-H2O]+ 223.11230 146.5
[M+HCOO]- 285.11324 177.3
[M+CH3COO]- 299.12889 194.4
[M+Na-2H]- 261.08971 158.3
[M]+ 240.11449 156.1
[M]- 240.11559 156.1
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