CID 10566

2,3-dimethyl-1,3-butadiene

Structural Information

Molecular Formula

C₆H₁₀

SMILES

CC(=C)C(=C)C

InChI

InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3

InChIKey

SDJHPPZKZZWAKF-UHFFFAOYSA-N

Compound name

2,3-dimethylbuta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 58
References: 71408
Patents: 82.07825 Da
Monoisotopic Mass: 3.1
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]+	83.085526	117.4
[M+Na]+	105.06747	128.4
[M+NH4]+	100.11207	126.1
[M+K]+	121.04141	122.9
[M-H]-	81.070974	117.3
[M+Na-2H]-	103.05292	121.7
[M]+	82.077701	118.8
[M]-	82.078799	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe