CID 13152

815-24-7

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: 4642
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]+	143.143046	131.9
[M+Na]+	165.124988	139.2
[M-H]-	141.128494	132.7
[M+NH4]+	160.169593	154.2
[M+K]+	181.098928	139.5
[M+H-H2O]+	125.133030	128.8
[M+HCOO]-	187.133971	151.2
[M+CH3COO]-	201.149621	177.6
[M+Na-2H]-	163.110436	137.9
[M]+	142.13522142	133.4
[M]-	142.13631858	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe