CID 248127

2,3-dihydro-1,4-benzodioxin-6-carbaldehyde

Structural Information

Molecular Formula
C9H8O3
SMILES
C1COC2=C(O1)C=CC(=C2)C=O
InChI
InChI=1S/C9H8O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5-6H,3-4H2
InChIKey
CWKXDPPQCVWXAG-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2417
Patents

164.04735 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05463 128.6
[M+Na]+ 187.03657 136.9
[M-H]- 163.04007 134.5
[M+NH4]+ 182.08117 147.7
[M+K]+ 203.01051 137.6
[M+H-H2O]+ 147.04461 123.0
[M+HCOO]- 209.04555 149.4
[M+CH3COO]- 223.06120 176.0
[M+Na-2H]- 185.02202 139.4
[M]+ 164.04680 129.8
[M]- 164.04790 129.8
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