CID 15604

1-methylfluorene

Structural Information

Molecular Formula

C₁₄H₁₂

SMILES

CC1=C2CC3=CC=CC=C3C2=CC=C1

InChI

InChI=1S/C14H12/c1-10-5-4-8-13-12-7-3-2-6-11(12)9-14(10)13/h2-8H,9H2,1H3

InChIKey

GKEUODMJRFDLJY-UHFFFAOYSA-N

Compound name

1-methyl-9H-fluorene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 2508
Patents: 180.0939 Da
Monoisotopic Mass: 5.0
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]+	181.10118	137.2
[M+Na]+	203.08312	153.0
[M+NH4]+	198.12772	149.1
[M+K]+	219.05706	145.4
[M-H]-	179.08662	142.1
[M+Na-2H]-	201.06857	145.5
[M]+	180.09335	141.1
[M]-	180.09445	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe