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

27
Patents

250.15689 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.164166 159.1
[M+Na]+ 273.146108 165.3
[M-H]- 249.149614 162.6
[M+NH4]+ 268.190713 176.7
[M+K]+ 289.120048 164.4
[M+H-H2O]+ 233.154150 153.2
[M+HCOO]- 295.155091 179.1
[M+CH3COO]- 309.170741 196.4
[M+Na-2H]- 271.131556 161.9
[M]+ 250.15634142 163.5
[M]- 250.15743858 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