CID 1494377

Ethyl 2-(3-formylphenoxy)acetate

Structural Information

Molecular Formula
C11H12O4
SMILES
CCOC(=O)COC1=CC=CC(=C1)C=O
InChI
InChI=1S/C11H12O4/c1-2-14-11(13)8-15-10-5-3-4-9(6-10)7-12/h3-7H,2,8H2,1H3
InChIKey
HMBNSDWJNMBKAE-UHFFFAOYSA-N
Compound name
ethyl 2-(3-formylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

208.07356 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.080836 142.7
[M+Na]+ 231.062778 150.4
[M-H]- 207.066284 146.4
[M+NH4]+ 226.107383 161.6
[M+K]+ 247.036718 149.4
[M+H-H2O]+ 191.070820 136.5
[M+HCOO]- 253.071761 166.9
[M+CH3COO]- 267.087411 185.0
[M+Na-2H]- 229.048226 148.0
[M]+ 208.07301142 147.4
[M]- 208.07410858 147.4
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