CID 13555

4-methyl-1,3-pentadiene

Structural Information

Molecular Formula

C₆H₁₀

SMILES

CC(=CC=C)C

InChI

InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3H3

InChIKey

CJSBUWDGPXGFGA-UHFFFAOYSA-N

Compound name

4-methylpenta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 15077
Patents: 82.07825 Da
Monoisotopic Mass: 2.7
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]+	83.085526	117.1
[M+Na]+	105.06747	128.5
[M+NH4]+	100.11207	126.0
[M+K]+	121.04141	122.2
[M-H]-	81.070974	117.2
[M+Na-2H]-	103.05292	121.8
[M]+	82.077701	118.6
[M]-	82.078799	118.6

Literature stripe

literature stripe

Patent stripe

patents stripe