CID 123678021

1-ethynyl-1-(propan-2-yl)cyclopropane

Structural Information

Molecular Formula

C₈H₁₂

SMILES

CC(C)C1(CC1)C#C

InChI

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

InChIKey

IDGZVEYABMOXAR-UHFFFAOYSA-N

Compound name

1-ethynyl-1-propan-2-ylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	109.10118	122.7
[M+Na]+	131.08312	135.0
[M+NH4]+	126.12772	130.2
[M+K]+	147.05706	126.5
[M-H]-	107.08662	123.1
[M+Na-2H]-	129.06857	129.4
[M]+	108.09335	124.9
[M]-	108.09445	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe