CID 3055449

72462-73-8

Structural Information

Molecular Formula
C15H22O3
SMILES
CCOC(=O)C(C)OC1=C(C(=CC(=C1C)C)C)C
InChI
InChI=1S/C15H22O3/c1-7-17-15(16)13(6)18-14-11(4)9(2)8-10(3)12(14)5/h8,13H,7H2,1-6H3
InChIKey
MOFMZKOHYAUBIF-UHFFFAOYSA-N
Compound name
ethyl 2-(2,3,5,6-tetramethylphenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 156.5
[M+Na]+ 273.14611 164.9
[M-H]- 249.14961 160.8
[M+NH4]+ 268.19071 174.9
[M+K]+ 289.12005 163.8
[M+H-H2O]+ 233.15415 150.8
[M+HCOO]- 295.15509 178.1
[M+CH3COO]- 309.17074 200.4
[M+Na-2H]- 271.13156 156.6
[M]+ 250.15634 162.6
[M]- 250.15744 162.6
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

No patent data available for this compound.