CID 61235

3-nonanone

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CCCCCCC(=O)CC

InChI

InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3

InChIKey

IYTXKIXETAELAV-UHFFFAOYSA-N

Compound name

nonan-3-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 5728
Patents: 142.13577 Da
Monoisotopic Mass: 2.8
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]+	143.14305	133.9
[M+Na]+	165.12499	144.2
[M+NH4]+	160.16959	141.9
[M+K]+	181.09893	137.8
[M-H]-	141.12849	133.6
[M+Na-2H]-	163.11044	137.5
[M]+	142.13522	135.1
[M]-	142.13632	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe