CID 78394

Isopropenylcyclopropane

Structural Information

Molecular Formula

C₆H₁₀

SMILES

CC(=C)C1CC1

InChI

InChI=1S/C6H10/c1-5(2)6-3-4-6/h6H,1,3-4H2,2H3

InChIKey

MKPHNILWOMCVTH-UHFFFAOYSA-N

Compound name

prop-1-en-2-ylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 166
Patents: 82.07825 Da
Monoisotopic Mass: 2.6
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]+	83.085526	115.1
[M+Na]+	105.067468	124.3
[M-H]-	81.070974	120.1
[M+NH4]+	100.112073	134.2
[M+K]+	121.041408	123.1
[M+H-H2O]+	65.075510	109.9
[M+HCOO]-	127.076451	138.6
[M+CH3COO]-	141.092101	169.6
[M+Na-2H]-	103.052916	121.8
[M]+	82.07770142	116.2
[M]-	82.07879858	116.2

Literature stripe

literature stripe

Patent stripe

patents stripe