CID 5354833

(z)-non-2-enal

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CCCCCC/C=C\C=O

InChI

InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7-

InChIKey

BSAIUMLZVGUGKX-FPLPWBNLSA-N

Compound name

(Z)-non-2-enal

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 228
References: 8478
Patents: 140.12012 Da
Monoisotopic Mass: 3.1
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]+	141.12740	133.1
[M+Na]+	163.10934	143.7
[M+NH4]+	158.15394	140.9
[M+K]+	179.08328	136.4
[M-H]-	139.11284	132.7
[M+Na-2H]-	161.09479	136.8
[M]+	140.11957	134.3
[M]-	140.12067	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe