CID 3013890

2,3-dihydro-1h-phenalene

Structural Information

Molecular Formula

C₁₃H₁₂

SMILES

C1CC2=CC=CC3=C2C(=CC=C3)C1

InChI

InChI=1S/C13H12/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h1-2,4-6,8H,3,7,9H2

InChIKey

GKNLVRYWFYXZFU-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-phenalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 307
Patents: 168.0939 Da
Monoisotopic Mass: 4.5
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]+	169.101176	133.2
[M+Na]+	191.083118	140.5
[M-H]-	167.086624	137.6
[M+NH4]+	186.127723	155.9
[M+K]+	207.057058	136.5
[M+H-H2O]+	151.091160	126.9
[M+HCOO]-	213.092101	153.4
[M+CH3COO]-	227.107751	146.6
[M+Na-2H]-	189.068566	143.4
[M]+	168.09335142	131.2
[M]-	168.09444858	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe