CID 6484713

14939-92-5

Structural Information

Molecular Formula
C11H12O4
SMILES
C1COC2=C(O1)C=CC(=C2)CCC(=O)O
InChI
InChI=1S/C11H12O4/c12-11(13)4-2-8-1-3-9-10(7-8)15-6-5-14-9/h1,3,7H,2,4-6H2,(H,12,13)
InChIKey
JYAJUMPCPQRKKU-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

42
Patents

208.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 142.9
[M+Na]+ 231.06278 155.0
[M+NH4]+ 226.10738 150.8
[M+K]+ 247.03672 150.2
[M-H]- 207.06628 146.8
[M+Na-2H]- 229.04823 146.8
[M]+ 208.07301 145.6
[M]- 208.07411 145.6
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