CID 12243

2-methyl-2-pentene

Structural Information

Molecular Formula

C₆H₁₂

SMILES

CCC=C(C)C

InChI

InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3

InChIKey

JMMZCWZIJXAGKW-UHFFFAOYSA-N

Compound name

2-methylpent-2-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 27349
Patents: 84.0939 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]+	85.101176	117.7
[M+Na]+	107.08312	129.1
[M+NH4]+	102.12772	126.8
[M+K]+	123.05706	122.8
[M-H]-	83.086624	118.1
[M+Na-2H]-	105.06857	122.5
[M]+	84.093351	119.3
[M]-	84.094449	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe