CID 2761036

3-(2,3-dihydrobenzofuran-5-yl)-2-propenoic acid

Structural Information

Molecular Formula
C11H10O3
SMILES
C1COC2=C1C=C(C=C2)C=CC(=O)O
InChI
InChI=1S/C11H10O3/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1-4,7H,5-6H2,(H,12,13)
InChIKey
KNKNRFWCOVWKHJ-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

190.06299 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 138.9
[M+Na]+ 213.052208 146.7
[M-H]- 189.055714 142.8
[M+NH4]+ 208.096813 159.4
[M+K]+ 229.026148 144.7
[M+H-H2O]+ 173.060250 134.0
[M+HCOO]- 235.061191 159.7
[M+CH3COO]- 249.076841 178.2
[M+Na-2H]- 211.037656 144.4
[M]+ 190.06244142 139.0
[M]- 190.06353858 139.0
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

No patent data available for this compound.