CID 643941

Cis-3-hexenal

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CC/C=C\CC=O

InChI

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-

InChIKey

GXANMBISFKBPEX-ARJAWSKDSA-N

Compound name

(Z)-hex-3-enal

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 439
References: 3446
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	119.8
[M+Na]+	121.06238	131.0
[M+NH4]+	116.10699	128.1
[M+K]+	137.03632	124.4
[M-H]-	97.065890	119.5
[M+Na-2H]-	119.04783	124.3
[M]+	98.072617	121.1
[M]-	98.073715	121.1

Literature stripe

literature stripe

Patent stripe

patents stripe