CID 61057

2,6,8-trimethyl-4-nonanone

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

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

InChI

InChI=1S/C12H24O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-11H,6-8H2,1-5H3

InChIKey

GFWVDQCGGDBTBS-UHFFFAOYSA-N

Compound name

2,6,8-trimethylnonan-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 697
Patents: 184.18271 Da
Monoisotopic Mass: 3.8
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]+	185.18999	147.8
[M+Na]+	207.17193	156.5
[M+NH4]+	202.21653	155.0
[M+K]+	223.14587	151.8
[M-H]-	183.17543	146.7
[M+Na-2H]-	205.15738	149.4
[M]+	184.18216	148.5
[M]-	184.18326	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe