CID 15890182

Ethyl 3-[4-(benzyloxy)phenyl]-3-hydroxypropanoate

Structural Information

Molecular Formula
C18H20O4
SMILES
CCOC(=O)CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)O
InChI
InChI=1S/C18H20O4/c1-2-21-18(20)12-17(19)15-8-10-16(11-9-15)22-13-14-6-4-3-5-7-14/h3-11,17,19H,2,12-13H2,1H3
InChIKey
JLOHCJGAMMDPLV-UHFFFAOYSA-N
Compound name
ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

300.13617 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 171.0
[M+Na]+ 323.12539 175.7
[M-H]- 299.12889 175.7
[M+NH4]+ 318.16999 184.7
[M+K]+ 339.09933 172.8
[M+H-H2O]+ 283.13343 162.7
[M+HCOO]- 345.13437 191.5
[M+CH3COO]- 359.15002 201.0
[M+Na-2H]- 321.11084 173.2
[M]+ 300.13562 173.6
[M]- 300.13672 173.6
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

patents stripe