CID 3023318

Einecs 301-565-9

Structural Information

Molecular Formula
C15H22O3
SMILES
CCOC(=O)C(C)OC1=CC=C(C=C1)C(C)(C)C
InChI
InChI=1S/C15H22O3/c1-6-17-14(16)11(2)18-13-9-7-12(8-10-13)15(3,4)5/h7-11H,6H2,1-5H3
InChIKey
VGBZYLBDLXGDJR-UHFFFAOYSA-N
Compound name
ethyl 2-(4-tert-butylphenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

250.15689 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 159.1
[M+Na]+ 273.14611 165.3
[M-H]- 249.14961 162.6
[M+NH4]+ 268.19071 176.7
[M+K]+ 289.12005 164.4
[M+H-H2O]+ 233.15415 153.2
[M+HCOO]- 295.15509 179.1
[M+CH3COO]- 309.17074 196.4
[M+Na-2H]- 271.13156 161.9
[M]+ 250.15634 163.5
[M]- 250.15744 163.5
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