CID 43082932

Methyl 3-(4-methoxyphenoxy)propanoate

Structural Information

Molecular Formula
C11H14O4
SMILES
COC1=CC=C(C=C1)OCCC(=O)OC
InChI
InChI=1S/C11H14O4/c1-13-9-3-5-10(6-4-9)15-8-7-11(12)14-2/h3-6H,7-8H2,1-2H3
InChIKey
AKBHVBLEQNXNQQ-UHFFFAOYSA-N
Compound name
methyl 3-(4-methoxyphenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

210.0892 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.096476 144.2
[M+Na]+ 233.078418 151.6
[M-H]- 209.081924 147.9
[M+NH4]+ 228.123023 163.1
[M+K]+ 249.052358 151.3
[M+H-H2O]+ 193.086460 137.9
[M+HCOO]- 255.087401 168.2
[M+CH3COO]- 269.103051 185.9
[M+Na-2H]- 231.063866 149.5
[M]+ 210.08865142 149.6
[M]- 210.08974858 149.6
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