CID 62323

2-methyl-1-buten-3-yne

Structural Information

Molecular Formula

C₅H₆

SMILES

CC(=C)C#C

InChI

InChI=1S/C5H6/c1-4-5(2)3/h1H,2H2,3H3

InChIKey

BOFLDKIFLIFLJA-UHFFFAOYSA-N

Compound name

2-methylbut-1-en-3-yne

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 1358
Patents: 66.04695 Da
Monoisotopic Mass: 1.9
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]+	67.054226	111.5
[M+Na]+	89.036168	123.0
[M+NH4]+	84.080773	117.0
[M+K]+	105.01011	114.5
[M-H]-	65.039674	104.0
[M+Na-2H]-	87.021616	114.1
[M]+	66.046401	110.1
[M]-	66.047499	110.1

Literature stripe

literature stripe

Patent stripe

patents stripe