CID 3017597

Ethyl 2-(4-hydroxyphenoxy)propanoate

Structural Information

Molecular Formula
C11H14O4
SMILES
CCOC(=O)C(C)OC1=CC=C(C=C1)O
InChI
InChI=1S/C11H14O4/c1-3-14-11(13)8(2)15-10-6-4-9(12)5-7-10/h4-8,12H,3H2,1-2H3
InChIKey
ILYSHPJWNMPBPE-UHFFFAOYSA-N
Compound name
ethyl 2-(4-hydroxyphenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

238
Patents

210.0892 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 145.0
[M+Na]+ 233.07842 151.7
[M-H]- 209.08192 147.3
[M+NH4]+ 228.12302 163.1
[M+K]+ 249.05236 151.0
[M+H-H2O]+ 193.08646 139.0
[M+HCOO]- 255.08740 166.5
[M+CH3COO]- 269.10305 184.2
[M+Na-2H]- 231.06387 148.5
[M]+ 210.08865 147.9
[M]- 210.08975 147.9
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