CID 10655281

4,10-dioxatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8-triene-2-carbaldehyde

Structural Information

Molecular Formula
C11H10O3
SMILES
C1COC2=C(C3=C(C=C21)OCC3)C=O
InChI
InChI=1S/C11H10O3/c12-6-9-8-2-4-13-10(8)5-7-1-3-14-11(7)9/h5-6H,1-4H2
InChIKey
ZAIUECZNMRBIFU-UHFFFAOYSA-N
Compound name
2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

190.06299 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 136.4
[M+Na]+ 213.05221 145.9
[M-H]- 189.05571 143.5
[M+NH4]+ 208.09681 159.3
[M+K]+ 229.02615 145.4
[M+H-H2O]+ 173.06025 132.9
[M+HCOO]- 235.06119 157.7
[M+CH3COO]- 249.07684 151.3
[M+Na-2H]- 211.03766 142.9
[M]+ 190.06244 139.0
[M]- 190.06354 139.0
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