CID 13152

Hexamethylacetone

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

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

InChI

InChI=1S/C9H18O/c1-8(2,3)7(10)9(4,5)6/h1-6H3

InChIKey

UIQGEWJEWJMQSL-UHFFFAOYSA-N

Compound name

2,2,4,4-tetramethylpentan-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 4501
Patents: 142.13577 Da
Monoisotopic Mass: 3.0
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]+	143.14305	134.5
[M+Na]+	165.12499	144.2
[M+NH4]+	160.16959	142.2
[M+K]+	181.09893	140.3
[M-H]-	141.12849	132.9
[M+Na-2H]-	163.11044	137.9
[M]+	142.13522	135.5
[M]-	142.13632	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe