CID 10954298

Tert-butyl 2-(tert-butoxy)acetate

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CC(C)(C)OCC(=O)OC(C)(C)C

InChI

InChI=1S/C10H20O3/c1-9(2,3)12-7-8(11)13-10(4,5)6/h7H2,1-6H3

InChIKey

OMOFILQTWANXFM-UHFFFAOYSA-N

Compound name

tert-butyl 2-[(2-methylpropan-2-yl)oxy]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
Patents: 188.14125 Da
Monoisotopic Mass: 2.0
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]+	189.14853	144.3
[M+Na]+	211.13047	152.8
[M+NH4]+	206.17507	150.5
[M+K]+	227.10441	149.7
[M-H]-	187.13397	141.5
[M+Na-2H]-	209.11592	146.4
[M]+	188.14070	144.6
[M]-	188.14180	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe