CID 51583

Ethyl 2-(2,3,5,6-tetramethylphenoxy)butanoate

Structural Information

Molecular Formula
C16H24O3
SMILES
CCC(C(=O)OCC)OC1=C(C(=CC(=C1C)C)C)C
InChI
InChI=1S/C16H24O3/c1-7-14(16(17)18-8-2)19-15-12(5)10(3)9-11(4)13(15)6/h9,14H,7-8H2,1-6H3
InChIKey
QRYSQUUAAKGSMM-UHFFFAOYSA-N
Compound name
ethyl 2-(2,3,5,6-tetramethylphenoxy)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.17255 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.179826 161.3
[M+Na]+ 287.161768 169.3
[M-H]- 263.165274 165.4
[M+NH4]+ 282.206373 179.1
[M+K]+ 303.135708 167.9
[M+H-H2O]+ 247.169810 155.3
[M+HCOO]- 309.170751 182.5
[M+CH3COO]- 323.186401 203.4
[M+Na-2H]- 285.147216 160.8
[M]+ 264.17200142 167.8
[M]- 264.17309858 167.8
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.