CID 28808472

5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)isoxazole-3-carbaldehyde

Structural Information

Molecular Formula
C12H9NO4
SMILES
C1COC2=C(O1)C=CC(=C2)C3=CC(=NO3)C=O
InChI
InChI=1S/C12H9NO4/c14-7-9-6-11(17-13-9)8-1-2-10-12(5-8)16-4-3-15-10/h1-2,5-7H,3-4H2
InChIKey
JUGZXYNMHNZWON-UHFFFAOYSA-N
Compound name
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.05316 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06044 146.7
[M+Na]+ 254.04238 161.0
[M+NH4]+ 249.08698 154.8
[M+K]+ 270.01632 157.6
[M-H]- 230.04588 153.7
[M+Na-2H]- 252.02783 152.2
[M]+ 231.05261 150.7
[M]- 231.05371 150.7
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

No patent data available for this compound.