CID 134231770

Fema no. 4871

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=C(C=CC(=C1)CC(=O)OCCOC2=CC=CC=C2)O
InChI
InChI=1S/C17H18O5/c1-20-16-11-13(7-8-15(16)18)12-17(19)22-10-9-21-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12H2,1H3
InChIKey
JRNKIWUFOHOCTF-UHFFFAOYSA-N
Compound name
2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

302.11542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12270 169.5
[M+Na]+ 325.10464 182.4
[M+NH4]+ 320.14924 176.0
[M+K]+ 341.07858 175.9
[M-H]- 301.10814 172.1
[M+Na-2H]- 323.09009 176.6
[M]+ 302.11487 172.0
[M]- 302.11597 172.0
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