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

63
Patents

206.0579 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.065176 141.2
[M+Na]+ 229.047118 148.1
[M-H]- 205.050624 145.4
[M+NH4]+ 224.091723 157.7
[M+K]+ 245.021058 147.8
[M+H-H2O]+ 189.055160 135.3
[M+HCOO]- 251.056101 159.1
[M+CH3COO]- 265.071751 181.2
[M+Na-2H]- 227.032566 149.2
[M]+ 206.05735142 141.3
[M]- 206.05844858 141.3
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