CID 92475849

2,3-dimethoxy-4,5-methylenedioxycinnamaldehyde

Structural Information

Molecular Formula
C12H12O5
SMILES
COC1=C(C2=C(C=C1/C=C\C=O)OCO2)OC
InChI
InChI=1S/C12H12O5/c1-14-10-8(4-3-5-13)6-9-11(12(10)15-2)17-7-16-9/h3-6H,7H2,1-2H3/b4-3-
InChIKey
UQBPCDWQJZVCPU-ARJAWSKDSA-N
Compound name
(Z)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

236.06847 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07575 148.6
[M+Na]+ 259.05769 160.6
[M+NH4]+ 254.10229 155.7
[M+K]+ 275.03163 157.5
[M-H]- 235.06119 151.7
[M+Na-2H]- 257.04314 151.2
[M]+ 236.06792 151.1
[M]- 236.06902 151.1
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

patents stripe