CID 3022810

93893-53-9

Structural Information

Molecular Formula

C₁₄H₂₀O₃

SMILES

CCOC(=O)COC1=CC=CC=C1C(C)(C)C

InChI

InChI=1S/C14H20O3/c1-5-16-13(15)10-17-12-9-7-6-8-11(12)14(2,3)4/h6-9H,5,10H2,1-4H3

InChIKey

ZGSKZKUYGQAKDH-UHFFFAOYSA-N

Compound name

ethyl 2-(2-tert-butylphenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 236.14125 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.148526	155.0
[M+Na]+	259.130468	161.8
[M-H]-	235.133974	158.6
[M+NH4]+	254.175073	173.2
[M+K]+	275.104408	160.7
[M+H-H2O]+	219.138510	149.1
[M+HCOO]-	281.139451	176.3
[M+CH3COO]-	295.155101	192.6
[M+Na-2H]-	257.115916	159.5
[M]+	236.14070142	159.6
[M]-	236.14179858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe