CID 304167

28578-16-7

Structural Information

Molecular Formula
C13H14O5
SMILES
CCOC(=O)C1(C(O1)C2=CC3=C(C=C2)OCO3)C
InChI
InChI=1S/C13H14O5/c1-3-15-12(14)13(2)11(18-13)8-4-5-9-10(6-8)17-7-16-9/h4-6,11H,3,7H2,1-2H3
InChIKey
BRILFEZHPXQINW-UHFFFAOYSA-N
Compound name
ethyl 3-(1,3-benzodioxol-5-yl)-2-methyloxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.08412 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09140 152.4
[M+Na]+ 273.07334 163.1
[M-H]- 249.07684 163.1
[M+NH4]+ 268.11794 165.8
[M+K]+ 289.04728 165.0
[M+H-H2O]+ 233.08138 147.5
[M+HCOO]- 295.08232 171.3
[M+CH3COO]- 309.09797 194.7
[M+Na-2H]- 271.05879 159.7
[M]+ 250.08357 161.9
[M]- 250.08467 161.9
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

No patent data available for this compound.