CID 11240

2-methyl-1-butene

Structural Information

Molecular Formula

C₅H₁₀

SMILES

CCC(=C)C

InChI

InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3

InChIKey

MHNNAWXXUZQSNM-UHFFFAOYSA-N

Compound name

2-methylbut-1-ene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 153
References: 48756
Patents: 70.07825 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]+	71.085526	113.1
[M+Na]+	93.067468	124.6
[M+NH4]+	88.112073	122.4
[M+K]+	109.04141	118.7
[M-H]-	69.070974	113.5
[M+Na-2H]-	91.052916	118.2
[M]+	70.077701	114.8
[M]-	70.078799	114.8

Literature stripe

literature stripe

Patent stripe

patents stripe