CID 4962316

8-methoxy-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

Structural Information

Molecular Formula
C10H10O5
SMILES
COC1=CC(=CC2=C1OCCO2)C(=O)O
InChI
InChI=1S/C10H10O5/c1-13-7-4-6(10(11)12)5-8-9(7)15-3-2-14-8/h4-5H,2-3H2,1H3,(H,11,12)
InChIKey
VASJKANHKVOTDC-UHFFFAOYSA-N
Compound name
5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

26
Patents

210.05283 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06011 140.9
[M+Na]+ 233.04205 153.1
[M+NH4]+ 228.08665 148.4
[M+K]+ 249.01599 149.3
[M-H]- 209.04555 144.4
[M+Na-2H]- 231.02750 144.5
[M]+ 210.05228 143.5
[M]- 210.05338 143.5
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