CID 3043145

Ethyl 2-(3-ethoxy-2-hydroxypropoxy)benzoate

Structural Information

Molecular Formula
C14H20O5
SMILES
CCOCC(COC1=CC=CC=C1C(=O)OCC)O
InChI
InChI=1S/C14H20O5/c1-3-17-9-11(15)10-19-13-8-6-5-7-12(13)14(16)18-4-2/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKey
LVHAXJNOWSDEEJ-UHFFFAOYSA-N
Compound name
ethyl 2-(3-ethoxy-2-hydroxypropoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.13107 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.138346 161.7
[M+Na]+ 291.120288 167.0
[M-H]- 267.123794 163.4
[M+NH4]+ 286.164893 177.4
[M+K]+ 307.094228 166.1
[M+H-H2O]+ 251.128330 154.9
[M+HCOO]- 313.129271 182.4
[M+CH3COO]- 327.144921 195.3
[M+Na-2H]- 289.105736 163.7
[M]+ 268.13052142 167.2
[M]- 268.13161858 167.2
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.