CID 5319472

3-methoxy-4,5-methylenedioxycinnamaldehyde

Structural Information

Molecular Formula
C11H10O4
SMILES
COC1=CC(=CC2=C1OCO2)/C=C/C=O
InChI
InChI=1S/C11H10O4/c1-13-9-5-8(3-2-4-12)6-10-11(9)15-7-14-10/h2-6H,7H2,1H3/b3-2+
InChIKey
IQMBSQBMNIILBR-NSCUHMNNSA-N
Compound name
(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

206.0579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 140.4
[M+Na]+ 229.04712 149.9
[M-H]- 205.05062 146.6
[M+NH4]+ 224.09172 160.0
[M+K]+ 245.02106 149.8
[M+H-H2O]+ 189.05516 135.6
[M+HCOO]- 251.05610 163.0
[M+CH3COO]- 265.07175 183.4
[M+Na-2H]- 227.03257 147.9
[M]+ 206.05735 145.5
[M]- 206.05845 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

literature stripe

Patent stripe

patents stripe