CID 2758841

Ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoacetate

Structural Information

Molecular Formula
C12H12O5
SMILES
CCOC(=O)C(=O)C1=CC2=C(C=C1)OCCO2
InChI
InChI=1S/C12H12O5/c1-2-15-12(14)11(13)8-3-4-9-10(7-8)17-6-5-16-9/h3-4,7H,2,5-6H2,1H3
InChIKey
ZHCREKCZMKTIPQ-UHFFFAOYSA-N
Compound name
ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

236.06847 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07575 148.4
[M+Na]+ 259.05769 154.8
[M-H]- 235.06119 153.8
[M+NH4]+ 254.10229 164.1
[M+K]+ 275.03163 156.3
[M+H-H2O]+ 219.06573 142.0
[M+HCOO]- 281.06667 166.6
[M+CH3COO]- 295.08232 189.8
[M+Na-2H]- 257.04314 155.1
[M]+ 236.06792 151.5
[M]- 236.06902 151.5
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

patents stripe