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

4
Annotation Hits: 0
References: 9351
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	116.6
[M+Na]+	107.083118	125.8
[M-H]-	83.086624	121.5
[M+NH4]+	102.127723	135.8
[M+K]+	123.057058	124.8
[M+H-H2O]+	67.091160	111.2
[M+HCOO]-	129.092101	140.8
[M+CH3COO]-	143.107751	169.8
[M+Na-2H]-	105.068566	124.5
[M]+	84.09335142	119.0
[M]-	84.09444858	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe