CID 11239

3-methyl-1-butene

Structural Information

Molecular Formula

C₅H₁₀

SMILES

CC(C)C=C

InChI

InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3

InChIKey

YHQXBTXEYZIYOV-UHFFFAOYSA-N

Compound name

3-methylbut-1-ene

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 714
References: 134685
Patents: 70.07825 Da
Monoisotopic Mass: 2.2
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	112.1
[M+Na]+	93.067468	119.9
[M-H]-	69.070974	112.9
[M+NH4]+	88.112073	136.9
[M+K]+	109.04141	120.1
[M+H-H2O]+	53.075510	108.6
[M+HCOO]-	115.07645	135.5
[M+CH3COO]-	129.09210	164.2
[M+Na-2H]-	91.052916	118.9
[M]+	70.077701	111.8
[M]-	70.078799	111.8

Literature stripe

literature stripe

Patent stripe

patents stripe