CID 221644

Ethyl 2-ethoxybenzoate

Structural Information

Molecular Formula
C11H14O3
SMILES
CCOC1=CC=CC=C1C(=O)OCC
InChI
InChI=1S/C11H14O3/c1-3-13-10-8-6-5-7-9(10)11(12)14-4-2/h5-8H,3-4H2,1-2H3
InChIKey
OUZCDRGUTZLAGO-UHFFFAOYSA-N
Compound name
ethyl 2-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1739
Patents

194.0943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 141.8
[M+Na]+ 217.08352 154.1
[M+NH4]+ 212.12812 149.6
[M+K]+ 233.05746 148.0
[M-H]- 193.08702 143.2
[M+Na-2H]- 215.06897 148.0
[M]+ 194.09375 143.8
[M]- 194.09485 143.8
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

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