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: 19
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]+	129.090996	119.3
[M+Na]+	151.072938	128.3
[M-H]-	127.076444	125.0
[M+NH4]+	146.117543	138.4
[M+K]+	167.046878	132.3
[M+H-H2O]+	111.080980	113.1
[M+HCOO]-	173.081921	141.0
[M+CH3COO]-	187.097571	176.4
[M+Na-2H]-	149.058386	128.2
[M]+	128.08317142	131.0
[M]-	128.08426858	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe