CID 528171

1,3-cyclopentadiene, 1-propyl

Structural Information

Molecular Formula

C₈H₁₂

SMILES

CCCC1=CC=CC1

InChI

InChI=1S/C8H12/c1-2-5-8-6-3-4-7-8/h3-4,6H,2,5,7H2,1H3

InChIKey

RZPAXISDLOEXPI-UHFFFAOYSA-N

Compound name

1-propylcyclopenta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1121
Patents: 108.0939 Da
Monoisotopic Mass: 2.8
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]+	109.10118	122.2
[M+Na]+	131.08312	134.4
[M+NH4]+	126.12772	132.3
[M+K]+	147.05706	128.7
[M-H]-	107.08662	124.8
[M+Na-2H]-	129.06857	129.3
[M]+	108.09335	124.6
[M]-	108.09445	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe