CID 5375268

3,4-dimethoxy cinnamaldehyde

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

246
Patents

192.07864 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 140.5
[M+Na]+ 215.06786 153.6
[M+NH4]+ 210.11246 148.2
[M+K]+ 231.04180 146.8
[M-H]- 191.07136 142.0
[M+Na-2H]- 213.05331 146.8
[M]+ 192.07809 142.7
[M]- 192.07919 142.7
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