CID 3054553

1-azafluorenone iodomethylate

Structural Information

Molecular Formula

C₁₃H₁₀NO

SMILES

C[N+]1=CC=CC2=C1C(=O)C3=CC=CC=C23

InChI

InChI=1S/C13H10NO/c1-14-8-4-7-10-9-5-2-3-6-11(9)13(15)12(10)14/h2-8H,1H3/q+1

InChIKey

ZCJNRTCJZVFRRH-UHFFFAOYSA-N

Compound name

1-methylindeno[2,1-b]pyridin-1-ium-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 196.07623 Da
Monoisotopic Mass: 2.5
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]+	197.08351	137.9
[M+Na]+	219.06545	155.7
[M+NH4]+	214.11005	149.5
[M+K]+	235.03939	149.8
[M-H]-	195.06895	143.1
[M+Na-2H]-	217.05090	146.3
[M]+	196.07568	142.5
[M]-	196.07678	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe