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: 36
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	143.6
[M+Na]+	211.13047	150.4
[M-H]-	187.13397	144.1
[M+NH4]+	206.17507	164.0
[M+K]+	227.10441	151.4
[M+H-H2O]+	171.13851	139.9
[M+HCOO]-	233.13945	163.1
[M+CH3COO]-	247.15510	183.9
[M+Na-2H]-	209.11592	149.2
[M]+	188.14070	148.3
[M]-	188.14180	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe