CID 1531687

211177-72-9

Structural Information

Molecular Formula
C13H18O4
SMILES
CCOC(=O)C(C)(C)OC1=CC=CC=C1OC
InChI
InChI=1S/C13H18O4/c1-5-16-12(14)13(2,3)17-11-9-7-6-8-10(11)15-4/h6-9H,5H2,1-4H3
InChIKey
HGFQOGVVBAUASZ-UHFFFAOYSA-N
Compound name
ethyl 2-(2-methoxyphenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

238.12051 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.127786 153.1
[M+Na]+ 261.109728 160.2
[M-H]- 237.113234 156.8
[M+NH4]+ 256.154333 171.1
[M+K]+ 277.083668 159.9
[M+H-H2O]+ 221.117770 147.2
[M+HCOO]- 283.118711 175.0
[M+CH3COO]- 297.134361 192.3
[M+Na-2H]- 259.095176 158.3
[M]+ 238.11996142 158.9
[M]- 238.12105858 158.9
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