CID 12969

3-methyl-1-pentene

Structural Information

Molecular Formula

C₆H₁₂

SMILES

CCC(C)C=C

InChI

InChI=1S/C6H12/c1-4-6(3)5-2/h4,6H,1,5H2,2-3H3

InChIKey

LDTAOIUHUHHCMU-UHFFFAOYSA-N

Compound name

3-methylpent-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 53054
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	117.6
[M+Na]+	107.08312	128.9
[M+NH4]+	102.12772	126.7
[M+K]+	123.05706	122.7
[M-H]-	83.086624	117.9
[M+Na-2H]-	105.06857	122.4
[M]+	84.093351	119.2
[M]-	84.094449	119.2

Literature stripe

literature stripe

Patent stripe

patents stripe