CID 12778577

28047-99-6

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CC(=O)COC(C)(C)C

InChI

InChI=1S/C7H14O2/c1-6(8)5-9-7(2,3)4/h5H2,1-4H3

InChIKey

KKJVWCBWUAYCRX-UHFFFAOYSA-N

Compound name

1-[(2-methylpropan-2-yl)oxy]propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 130.09938 Da
Monoisotopic Mass: 0.8
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]+	131.10666	128.2
[M+Na]+	153.08860	138.1
[M+NH4]+	148.13320	135.8
[M+K]+	169.06254	134.0
[M-H]-	129.09210	126.8
[M+Na-2H]-	151.07405	131.7
[M]+	130.09883	129.1
[M]-	130.09993	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe