CID 91656837

3-(3-ethoxy-4-methoxyphenyl)-1-propene

Structural Information

Molecular Formula
C12H16O2
SMILES
CCOC1=C(C=CC(=C1)CC=C)OC
InChI
InChI=1S/C12H16O2/c1-4-6-10-7-8-11(13-3)12(9-10)14-5-2/h4,7-9H,1,5-6H2,2-3H3
InChIKey
GDTCIJLPNCAUKI-UHFFFAOYSA-N
Compound name
2-ethoxy-1-methoxy-4-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 141.4
[M+Na]+ 215.10426 149.7
[M-H]- 191.10776 145.3
[M+NH4]+ 210.14886 161.6
[M+K]+ 231.07820 147.6
[M+H-H2O]+ 175.11230 135.6
[M+HCOO]- 237.11324 165.7
[M+CH3COO]- 251.12889 185.8
[M+Na-2H]- 213.08971 146.8
[M]+ 192.11449 145.5
[M]- 192.11559 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.