CID 88898889

1342299-83-5

Structural Information

Molecular Formula
C11H10O4
SMILES
COC(=O)C1=CC(=CC2=C1OCC2)C=O
InChI
InChI=1S/C11H10O4/c1-14-11(13)9-5-7(6-12)4-8-2-3-15-10(8)9/h4-6H,2-3H2,1H3
InChIKey
BYENSJMVGYNXKF-UHFFFAOYSA-N
Compound name
methyl 5-formyl-2,3-dihydro-1-benzofuran-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.0579 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 140.5
[M+Na]+ 229.04712 149.6
[M-H]- 205.05062 146.2
[M+NH4]+ 224.09172 161.3
[M+K]+ 245.02106 149.1
[M+H-H2O]+ 189.05516 135.5
[M+HCOO]- 251.05610 163.1
[M+CH3COO]- 265.07175 184.1
[M+Na-2H]- 227.03257 146.0
[M]+ 206.05735 144.4
[M]- 206.05845 144.4
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

patents stripe