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

21
Patents

236.06847 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.075746 148.4
[M+Na]+ 259.057688 154.8
[M-H]- 235.061194 153.8
[M+NH4]+ 254.102293 164.1
[M+K]+ 275.031628 156.3
[M+H-H2O]+ 219.065730 142.0
[M+HCOO]- 281.066671 166.6
[M+CH3COO]- 295.082321 189.8
[M+Na-2H]- 257.043136 155.1
[M]+ 236.06792142 151.5
[M]- 236.06901858 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