CID 137943622

3-(8-methoxy-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylaldehyde

Structural Information

Molecular Formula
C12H12O4
SMILES
COC1=CC(=CC2=C1OCCO2)/C=C/C=O
InChI
InChI=1S/C12H12O4/c1-14-10-7-9(3-2-4-13)8-11-12(10)16-6-5-15-11/h2-4,7-8H,5-6H2,1H3/b3-2+
InChIKey
QOFZRNWPYIECJZ-NSCUHMNNSA-N
Compound name
(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07356 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 145.6
[M+Na]+ 243.06278 158.9
[M+NH4]+ 238.10738 153.5
[M+K]+ 259.03672 152.9
[M-H]- 219.06628 150.0
[M+Na-2H]- 241.04823 150.0
[M]+ 220.07301 148.7
[M]- 220.07411 148.7
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.