CID 14271895

2-[2-(tert-butoxy)-2-oxoethoxy]acetic acid

Structural Information

Molecular Formula

C₈H₁₄O₅

SMILES

CC(C)(C)OC(=O)COCC(=O)O

InChI

InChI=1S/C8H14O5/c1-8(2,3)13-7(11)5-12-4-6(9)10/h4-5H2,1-3H3,(H,9,10)

InChIKey

KFROMFPUCBQIKX-UHFFFAOYSA-N

Compound name

2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 190.08412 Da
Monoisotopic Mass: 0.6
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]+	191.09140	139.8
[M+Na]+	213.07334	146.4
[M-H]-	189.07684	138.8
[M+NH4]+	208.11794	158.8
[M+K]+	229.04728	147.3
[M+H-H2O]+	173.08138	135.5
[M+HCOO]-	235.08232	159.6
[M+CH3COO]-	249.09797	179.4
[M+Na-2H]-	211.05879	143.9
[M]+	190.08357	144.0
[M]-	190.08467	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe