CID 5375268

58045-88-8

Structural Information

Molecular Formula
C11H12O3
SMILES
COC1=C(C=C(C=C1)/C=C/C=O)OC
InChI
InChI=1S/C11H12O3/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h3-8H,1-2H3/b4-3+
InChIKey
KNUFNLWDGZQKKJ-ONEGZZNKSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

280
Patents

192.07864 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 138.6
[M+Na]+ 215.067858 147.6
[M-H]- 191.071364 142.7
[M+NH4]+ 210.112463 158.7
[M+K]+ 231.041798 145.7
[M+H-H2O]+ 175.075900 132.8
[M+HCOO]- 237.076841 163.7
[M+CH3COO]- 251.092491 183.3
[M+Na-2H]- 213.053306 144.5
[M]+ 192.07809142 142.9
[M]- 192.07918858 142.9
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