CID 54383554

(2-methylbut-3-yn-2-yl)cyclopropane

Structural Information

Molecular Formula

C₈H₁₂

SMILES

CC(C)(C#C)C1CC1

InChI

InChI=1S/C8H12/c1-4-8(2,3)7-5-6-7/h1,7H,5-6H2,2-3H3

InChIKey

RIZYFRDWKXQNFS-UHFFFAOYSA-N

Compound name

2-methylbut-3-yn-2-ylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 108.0939 Da
Monoisotopic Mass: 2.8
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]+	109.101176	120.8
[M+Na]+	131.083118	136.0
[M-H]-	107.086624	126.5
[M+NH4]+	126.127723	139.0
[M+K]+	147.057058	130.9
[M+H-H2O]+	91.091160	112.8
[M+HCOO]-	153.092101	139.5
[M+CH3COO]-	167.107751	183.1
[M+Na-2H]-	129.068566	129.2
[M]+	108.09335142	119.5
[M]-	108.09444858	119.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe