CID 206810

Brn 0011613

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

C1CN2CCNC(=O)C3=CC=CC1=C32

InChI

InChI=1S/C11H12N2O/c14-11-9-3-1-2-8-4-6-13(10(8)9)7-5-12-11/h1-3H,4-7H2,(H,12,14)

InChIKey

QNDXHROLCKSDCV-UHFFFAOYSA-N

Compound name

1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 188.09496 Da
Monoisotopic Mass: 1.1
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]+	189.10224	137.3
[M+Na]+	211.08418	147.1
[M+NH4]+	206.12878	145.5
[M+K]+	227.05812	144.0
[M-H]-	187.08768	137.8
[M+Na-2H]-	209.06963	140.9
[M]+	188.09441	138.7
[M]-	188.09551	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe