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]+ 207.065176 140.5
[M+Na]+ 229.047118 149.6
[M-H]- 205.050624 146.2
[M+NH4]+ 224.091723 161.3
[M+K]+ 245.021058 149.1
[M+H-H2O]+ 189.055160 135.5
[M+HCOO]- 251.056101 163.1
[M+CH3COO]- 265.071751 184.1
[M+Na-2H]- 227.032566 146.0
[M]+ 206.05735142 144.4
[M]- 206.05844858 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