CID 4167301

Sodium isopropylcyclopentadienide

Structural Information

Molecular Formula

C₈H₁₂

SMILES

CC(C)C1C=CC=C1

InChI

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

InChIKey

CVIGYQZQDNHNTC-UHFFFAOYSA-N

Compound name

5-propan-2-ylcyclopenta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 377
Patents: 108.0939 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]+	109.10118	122.3
[M+Na]+	131.08312	129.8
[M-H]-	107.08662	126.0
[M+NH4]+	126.12772	147.1
[M+K]+	147.05706	129.0
[M+H-H2O]+	91.091160	117.5
[M+HCOO]-	153.09210	146.9
[M+CH3COO]-	167.10775	169.5
[M+Na-2H]-	129.06857	127.6
[M]+	108.09335	121.9
[M]-	108.09445	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe