CID 152241939

(1-cyclopropylprop-2-yn-1-yl)cyclopropane

Structural Information

Molecular Formula

C₉H₁₂

SMILES

C#CC(C1CC1)C2CC2

InChI

InChI=1S/C9H12/c1-2-9(7-3-4-7)8-5-6-8/h1,7-9H,3-6H2

InChIKey

WDNKZRXMSWPCRH-UHFFFAOYSA-N

Compound name

1-cyclopropylprop-2-ynylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 120.0939 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]+	121.10118	114.3
[M+Na]+	143.08312	125.9
[M+NH4]+	138.12772	120.6
[M+K]+	159.05706	122.1
[M-H]-	119.08662	121.1
[M+Na-2H]-	141.06857	123.0
[M]+	120.09335	118.9
[M]-	120.09445	118.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.