CID 5142038

4-methoxy-6-vinyl-1,3-benzodioxole-5-carbaldehyde

Structural Information

Molecular Formula
C11H10O4
SMILES
COC1=C(C(=CC2=C1OCO2)C=C)C=O
InChI
InChI=1S/C11H10O4/c1-3-7-4-9-11(15-6-14-9)10(13-2)8(7)5-12/h3-5H,1,6H2,2H3
InChIKey
UMACQLRXHVIXHQ-UHFFFAOYSA-N
Compound name
6-ethenyl-4-methoxy-1,3-benzodioxole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

206.0579 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 139.9
[M+Na]+ 229.04712 150.2
[M-H]- 205.05062 146.4
[M+NH4]+ 224.09172 159.7
[M+K]+ 245.02106 150.1
[M+H-H2O]+ 189.05516 135.3
[M+HCOO]- 251.05610 162.4
[M+CH3COO]- 265.07175 185.3
[M+Na-2H]- 227.03257 146.8
[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

No literature data available for this compound.

Patent stripe

patents stripe