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]+ 251.164166 156.5
[M+Na]+ 273.146108 164.9
[M-H]- 249.149614 160.8
[M+NH4]+ 268.190713 174.9
[M+K]+ 289.120048 163.8
[M+H-H2O]+ 233.154150 150.8
[M+HCOO]- 295.155091 178.1
[M+CH3COO]- 309.170741 200.4
[M+Na-2H]- 271.131556 156.6
[M]+ 250.15634142 162.6
[M]- 250.15743858 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.