CID 11829691

1197-66-6

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

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

InChI

InChI=1S/C9H16O2/c1-8(2)5-7(10)6-9(3,4)11-8/h5-6H2,1-4H3

InChIKey

NOGFHTGYPKWWRX-UHFFFAOYSA-N

Compound name

2,2,6,6-tetramethyloxan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21247
Patents: 156.11504 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]+	157.122316	128.8
[M+Na]+	179.104258	137.2
[M-H]-	155.107764	133.7
[M+NH4]+	174.148863	153.1
[M+K]+	195.078198	138.1
[M+H-H2O]+	139.112300	125.7
[M+HCOO]-	201.113241	148.9
[M+CH3COO]-	215.128891	177.2
[M+Na-2H]-	177.089706	136.6
[M]+	156.11449142	128.8
[M]-	156.11558858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe