CID 62421

2,8-dimethylnonan-5-one

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

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

InChI

InChI=1S/C11H22O/c1-9(2)5-7-11(12)8-6-10(3)4/h9-10H,5-8H2,1-4H3

InChIKey

JQCWLRHNAHIIGW-UHFFFAOYSA-N

Compound name

2,8-dimethylnonan-5-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1416
Patents: 170.16707 Da
Monoisotopic Mass: 3.2
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]+	171.17435	143.3
[M+Na]+	193.15629	152.5
[M+NH4]+	188.20089	150.7
[M+K]+	209.13023	147.2
[M-H]-	169.15979	142.5
[M+Na-2H]-	191.14174	145.5
[M]+	170.16652	144.2
[M]-	170.16762	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe