CID 137467

6,6-dimethylfulvene

Structural Information

Molecular Formula

C₈H₁₀

SMILES

CC(=C1C=CC=C1)C

InChI

InChI=1S/C8H10/c1-7(2)8-5-3-4-6-8/h3-6H,1-2H3

InChIKey

WXACXMWYHXOSIX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 2319
Patents: 106.07825 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]+	107.08553	122.2
[M+Na]+	129.06747	134.1
[M+NH4]+	124.11207	132.0
[M+K]+	145.04141	129.1
[M-H]-	105.07097	124.3
[M+Na-2H]-	127.05292	128.8
[M]+	106.07770	124.4
[M]-	106.07880	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe