CID 6448376

(e)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-butenoic acid

Structural Information

Molecular Formula
C12H10O5
SMILES
C1COC2=C(O1)C=CC(=C2)C(=O)/C=C/C(=O)O
InChI
InChI=1S/C12H10O5/c13-9(2-4-12(14)15)8-1-3-10-11(7-8)17-6-5-16-10/h1-4,7H,5-6H2,(H,14,15)/b4-2+
InChIKey
XVDHSBPWPNBZNT-DUXPYHPUSA-N
Compound name
(E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.05283 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06011 148.5
[M+Na]+ 257.04205 159.6
[M+NH4]+ 252.08665 154.9
[M+K]+ 273.01599 155.9
[M-H]- 233.04555 151.1
[M+Na-2H]- 255.02750 151.2
[M]+ 234.05228 150.5
[M]- 234.05338 150.5
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.