CID 17014

Propylcyclopropane

Structural Information

Molecular Formula

C₆H₁₂

SMILES

CCCC1CC1

InChI

InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3

InChIKey

MWVPQZRIWVPJCA-UHFFFAOYSA-N

Compound name

propylcyclopropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4486
Patents: 84.0939 Da
Monoisotopic Mass: 3.0
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]+	85.101176	116.2
[M+Na]+	107.08312	129.2
[M+NH4]+	102.12772	126.5
[M+K]+	123.05706	124.2
[M-H]-	83.086624	125.0
[M+Na-2H]-	105.06857	125.3
[M]+	84.093351	121.6
[M]-	84.094449	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe