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

6
Patents

206.0579 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.065176 139.9
[M+Na]+ 229.047118 150.2
[M-H]- 205.050624 146.4
[M+NH4]+ 224.091723 159.7
[M+K]+ 245.021058 150.1
[M+H-H2O]+ 189.055160 135.3
[M+HCOO]- 251.056101 162.4
[M+CH3COO]- 265.071751 185.3
[M+Na-2H]- 227.032566 146.8
[M]+ 206.05735142 145.5
[M]- 206.05844858 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