CID 3063023

Mg 6861

Structural Information

Molecular Formula

C₂₄H₃₀O₆

SMILES

CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(C)(C)C(=O)OCC

InChI

InChI=1S/C24H30O6/c1-7-27-21(25)23(3,4)29-19-13-9-17(10-14-19)18-11-15-20(16-12-18)30-24(5,6)22(26)28-8-2/h9-16H,7-8H2,1-6H3

InChIKey

ATCKCQQANSHFIY-UHFFFAOYSA-N

Compound name

ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 414.20422 Da
Monoisotopic Mass: 5.2
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]+	415.211496	199.7
[M+Na]+	437.193438	204.0
[M-H]-	413.196944	205.8
[M+NH4]+	432.238043	209.8
[M+K]+	453.167378	203.0
[M+H-H2O]+	397.201480	191.3
[M+HCOO]-	459.202421	217.1
[M+CH3COO]-	473.218071	226.0
[M+Na-2H]-	435.178886	201.4
[M]+	414.20367142	207.9
[M]-	414.20476858	207.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.