CID 6173840

14939-91-4

Structural Information

Molecular Formula
C11H10O4
SMILES
C1COC2=C(O1)C=CC(=C2)/C=C/C(=O)O
InChI
InChI=1S/C11H10O4/c12-11(13)4-2-8-1-3-9-10(7-8)15-6-5-14-9/h1-4,7H,5-6H2,(H,12,13)/b4-2+
InChIKey
KPDOZWMLNDDCDJ-DUXPYHPUSA-N
Compound name
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

56
Patents

206.0579 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 142.1
[M+Na]+ 229.04712 154.3
[M+NH4]+ 224.09172 149.8
[M+K]+ 245.02106 149.4
[M-H]- 205.05062 145.8
[M+Na-2H]- 227.03257 146.0
[M]+ 206.05735 144.7
[M]- 206.05845 144.7
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