CID 69817

5-hexenal

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C=CCCCC=O

InChI

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2,6H,1,3-5H2

InChIKey

USLRUYZDOLMIRJ-UHFFFAOYSA-N

Compound name

hex-5-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1589
Patents: 98.073166 Da
Monoisotopic Mass: 1.1
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]+	99.080442	118.2
[M+Na]+	121.06238	126.1
[M-H]-	97.065890	118.7
[M+NH4]+	116.10699	141.8
[M+K]+	137.03632	125.3
[M+H-H2O]+	81.070426	114.2
[M+HCOO]-	143.07137	142.7
[M+CH3COO]-	157.08702	167.4
[M+Na-2H]-	119.04783	125.6
[M]+	98.072617	119.7
[M]-	98.073715	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe