CID 151226

4739-94-0

Structural Information

Molecular Formula
C11H12O4
SMILES
CCOC(=O)C1COC2=CC=CC=C2O1
InChI
InChI=1S/C11H12O4/c1-2-13-11(12)10-7-14-8-5-3-4-6-9(8)15-10/h3-6,10H,2,7H2,1H3
InChIKey
DDIGEMWIKJMEIU-UHFFFAOYSA-N
Compound name
ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

208.07356 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 142.0
[M+Na]+ 231.06278 149.0
[M-H]- 207.06628 147.6
[M+NH4]+ 226.10738 159.2
[M+K]+ 247.03672 150.2
[M+H-H2O]+ 191.07082 135.8
[M+HCOO]- 253.07176 161.2
[M+CH3COO]- 267.08741 184.4
[M+Na-2H]- 229.04823 150.3
[M]+ 208.07301 144.5
[M]- 208.07411 144.5
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