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]+ 239.12779 153.1
[M+Na]+ 261.10973 160.2
[M-H]- 237.11323 156.8
[M+NH4]+ 256.15433 171.1
[M+K]+ 277.08367 159.9
[M+H-H2O]+ 221.11777 147.2
[M+HCOO]- 283.11871 175.0
[M+CH3COO]- 297.13436 192.3
[M+Na-2H]- 259.09518 158.3
[M]+ 238.11996 158.9
[M]- 238.12106 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