CID 14405861

Tetramethyloxetan-3-one

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CC1(C(=O)C(O1)(C)C)C

InChI

InChI=1S/C7H12O2/c1-6(2)5(8)7(3,4)9-6/h1-4H3

InChIKey

ICAWCCAAVMFWRH-UHFFFAOYSA-N

Compound name

2,2,4,4-tetramethyloxetan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 128.08372 Da
Monoisotopic Mass: 0.9
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]+	129.09100	123.6
[M+Na]+	151.07294	131.0
[M+NH4]+	146.11754	130.8
[M+K]+	167.04688	124.9
[M-H]-	127.07644	123.3
[M+Na-2H]-	149.05839	128.7
[M]+	128.08317	123.7
[M]-	128.08427	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe