CID 66195

3-methyl-1,4-pentadiene

Structural Information

Molecular Formula

C₆H₁₀

SMILES

CC(C=C)C=C

InChI

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

InChIKey

IKQUUYYDRTYXAP-UHFFFAOYSA-N

Compound name

3-methylpenta-1,4-diene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1260
Patents: 82.07825 Da
Monoisotopic Mass: 2.5
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	117.0
[M+Na]+	105.06747	128.4
[M+NH4]+	100.11207	125.8
[M+K]+	121.04141	122.0
[M-H]-	81.070974	117.1
[M+Na-2H]-	103.05292	121.7
[M]+	82.077701	118.5
[M]-	82.078799	118.5

Literature stripe

literature stripe

Patent stripe

patents stripe