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

1
References

35
Patents

236.06847 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.075746 147.6
[M+Na]+ 259.057688 157.4
[M-H]- 235.061194 154.0
[M+NH4]+ 254.102293 166.2
[M+K]+ 275.031628 157.7
[M+H-H2O]+ 219.065730 142.6
[M+HCOO]- 281.066671 170.0
[M+CH3COO]- 295.082321 189.9
[M+Na-2H]- 257.043136 154.0
[M]+ 236.06792142 154.9
[M]- 236.06901858 154.9
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.