CID 3457310

7-methoxy-1-benzofuran-2-carbaldehyde

Structural Information

Molecular Formula
C10H8O3
SMILES
COC1=CC=CC2=C1OC(=C2)C=O
InChI
InChI=1S/C10H8O3/c1-12-9-4-2-3-7-5-8(6-11)13-10(7)9/h2-6H,1H3
InChIKey
ZVPJQWBKNUJXSY-UHFFFAOYSA-N
Compound name
7-methoxy-1-benzofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

176.04735 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.054626 130.7
[M+Na]+ 199.036568 142.4
[M-H]- 175.040074 137.2
[M+NH4]+ 194.081173 153.2
[M+K]+ 215.010508 141.4
[M+H-H2O]+ 159.044610 125.9
[M+HCOO]- 221.045551 157.2
[M+CH3COO]- 235.061201 178.9
[M+Na-2H]- 197.022016 139.8
[M]+ 176.04680142 137.1
[M]- 176.04789858 137.1
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