CID 31663

23145-19-9

Structural Information

Molecular Formula
C10H8O3
SMILES
COC1=CC2=C(C=C1)OC(=C2)C=O
InChI
InChI=1S/C10H8O3/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-6H,1H3
InChIKey
OPAYERWEZXLSFC-UHFFFAOYSA-N
Compound name
5-methoxy-1-benzofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

111
Patents

176.04735 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05463 131.6
[M+Na]+ 199.03657 146.2
[M+NH4]+ 194.08117 140.8
[M+K]+ 215.01051 141.6
[M-H]- 175.04007 135.2
[M+Na-2H]- 197.02202 138.4
[M]+ 176.04680 134.8
[M]- 176.04790 134.8
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

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