CID 51583

72462-75-0

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]+ 265.17983 161.3
[M+Na]+ 287.16177 169.3
[M-H]- 263.16527 165.4
[M+NH4]+ 282.20637 179.1
[M+K]+ 303.13571 167.9
[M+H-H2O]+ 247.16981 155.3
[M+HCOO]- 309.17075 182.5
[M+CH3COO]- 323.18640 203.4
[M+Na-2H]- 285.14722 160.8
[M]+ 264.17200 167.8
[M]- 264.17310 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.