CID 54444558

Prop-2-ynylcyclopropane

Structural Information

Molecular Formula

C₆H₈

SMILES

C#CCC1CC1

InChI

InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2

InChIKey

WYQUDTBKJDQONL-UHFFFAOYSA-N

Compound name

prop-2-ynylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 175
Patents: 80.0626 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]+	81.069876	116.0
[M+Na]+	103.05182	128.7
[M+NH4]+	98.096423	122.6
[M+K]+	119.02576	121.2
[M-H]-	79.055324	116.4
[M+Na-2H]-	101.03727	122.1
[M]+	80.062051	118.1
[M]-	80.063149	118.1

Literature stripe

literature stripe

Patent stripe

patents stripe