CID 138823

Cyclopropylacetylene

Structural Information

Molecular Formula

C₅H₆

SMILES

C#CC1CC1

InChI

InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2

InChIKey

NPTDXPDGUHAFKC-UHFFFAOYSA-N

Compound name

ethynylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 3560
Patents: 66.04695 Da
Monoisotopic Mass: 1.5
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	112.6
[M+Na]+	89.036168	125.4
[M+NH4]+	84.080773	119.3
[M+K]+	105.01011	118.0
[M-H]-	65.039674	113.0
[M+Na-2H]-	87.021616	118.8
[M]+	66.046401	114.7
[M]-	66.047499	114.7

Literature stripe

literature stripe

Patent stripe

patents stripe