CID 129835668

Methyl (2r*,3s*)-2,3-dihydro-3-hydroxy-2-isopropenyl-5-benzofurancarboxylate

Structural Information

Molecular Formula
C13H14O4
SMILES
CC(=C)C1C(C2=C(O1)C=CC(=C2)C(=O)OC)O
InChI
InChI=1S/C13H14O4/c1-7(2)12-11(14)9-6-8(13(15)16-3)4-5-10(9)17-12/h4-6,11-12,14H,1H2,2-3H3
InChIKey
ZQTUKLOPEQEDKS-UHFFFAOYSA-N
Compound name
methyl 3-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0892 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09648 150.7
[M+Na]+ 257.07842 161.3
[M+NH4]+ 252.12302 157.7
[M+K]+ 273.05236 159.1
[M-H]- 233.08192 152.0
[M+Na-2H]- 255.06387 152.6
[M]+ 234.08865 152.3
[M]- 234.08975 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.