CID 606578

8-methoxy-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde

Structural Information

Molecular Formula
C10H10O4
SMILES
COC1=CC(=CC2=C1OCCO2)C=O
InChI
InChI=1S/C10H10O4/c1-12-8-4-7(6-11)5-9-10(8)14-3-2-13-9/h4-6H,2-3H2,1H3
InChIKey
MCPICTRPQGUUJE-UHFFFAOYSA-N
Compound name
5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

194.0579 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 136.3
[M+Na]+ 217.04712 144.9
[M-H]- 193.05062 142.4
[M+NH4]+ 212.09172 154.4
[M+K]+ 233.02106 146.0
[M+H-H2O]+ 177.05516 130.4
[M+HCOO]- 239.05610 156.9
[M+CH3COO]- 253.07175 182.4
[M+Na-2H]- 215.03257 145.9
[M]+ 194.05735 139.7
[M]- 194.05845 139.7
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