CID 31289

Nonanal

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CCCCCCCCC=O

InChI

InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3

InChIKey

GYHFUZHODSMOHU-UHFFFAOYSA-N

Compound name

nonanal

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 491
References: 57417
Patents: 142.13577 Da
Monoisotopic Mass: 3.3
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	133.5
[M+Na]+	165.12499	144.1
[M+NH4]+	160.16959	141.7
[M+K]+	181.09893	136.9
[M-H]-	141.12849	133.4
[M+Na-2H]-	163.11044	137.4
[M]+	142.13522	134.8
[M]-	142.13632	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe