CID 5364551

2-nonenal, 2-pentyl-

Structural Information

Molecular Formula

C₁₄H₂₆O

SMILES

CCCCCC/C=C(/CCCCC)\C=O

InChI

InChI=1S/C14H26O/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h12-13H,3-11H2,1-2H3/b14-12-

InChIKey

VIKQYIINCNAGJW-OWBHPGMISA-N

Compound name

(Z)-2-pentylnon-2-enal

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 61
Patents: 210.19836 Da
Monoisotopic Mass: 5.6
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]+	211.205636	156.1
[M+Na]+	233.187578	160.5
[M-H]-	209.191084	155.1
[M+NH4]+	228.232183	175.1
[M+K]+	249.161518	157.9
[M+H-H2O]+	193.195620	150.5
[M+HCOO]-	255.196561	176.9
[M+CH3COO]-	269.212211	191.8
[M+Na-2H]-	231.173026	157.7
[M]+	210.19781142	159.8
[M]-	210.19890858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe