CID 11249

2,3-dimethyl-1-butene

Structural Information

Molecular Formula

C₆H₁₂

SMILES

CC(C)C(=C)C

InChI

InChI=1S/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3

InChIKey

OWWIWYDDISJUMY-UHFFFAOYSA-N

Compound name

2,3-dimethylbut-1-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 12712
Patents: 84.0939 Da
Monoisotopic Mass: 2.8
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]+	85.101176	118.0
[M+Na]+	107.08312	129.0
[M+NH4]+	102.12772	127.0
[M+K]+	123.05706	123.6
[M-H]-	83.086624	118.2
[M+Na-2H]-	105.06857	122.4
[M]+	84.093351	119.5
[M]-	84.094449	119.5

Literature stripe

literature stripe

Patent stripe

patents stripe