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 168.6
[M+Na]+ 325.10464 174.9
[M-H]- 301.10814 173.8
[M+NH4]+ 320.14924 182.6
[M+K]+ 341.07858 172.4
[M+H-H2O]+ 285.11268 160.4
[M+HCOO]- 347.11362 190.7
[M+CH3COO]- 361.12927 200.4
[M+Na-2H]- 323.09009 172.0
[M]+ 302.11487 173.4
[M]- 302.11597 173.4
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