CID 140110336

Tert-butyl 2-(2-ethoxy-6-formylphenoxy)acetate

Structural Information

Molecular Formula
C15H20O5
SMILES
CCOC1=CC=CC(=C1OCC(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C15H20O5/c1-5-18-12-8-6-7-11(9-16)14(12)19-10-13(17)20-15(2,3)4/h6-9H,5,10H2,1-4H3
InChIKey
NVNKCTWAZCDMIJ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-ethoxy-6-formylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13107 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.138346 163.1
[M+Na]+ 303.120288 170.4
[M-H]- 279.123794 166.8
[M+NH4]+ 298.164893 179.5
[M+K]+ 319.094228 169.7
[M+H-H2O]+ 263.128330 156.8
[M+HCOO]- 325.129271 184.7
[M+CH3COO]- 339.144921 200.0
[M+Na-2H]- 301.105736 166.7
[M]+ 280.13052142 170.6
[M]- 280.13161858 170.6
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.