CID 213866

Brn 0957992

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

C1CNC2=CC=CC3=C2N(C1)C=C3

InChI

InChI=1S/C11H12N2/c1-3-9-5-8-13-7-2-6-12-10(4-1)11(9)13/h1,3-5,8,12H,2,6-7H2

InChIKey

JTIUNDJPUKNFER-UHFFFAOYSA-N

Compound name

1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.10005 Da
Monoisotopic Mass: 2.0
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]+	173.10733	132.0
[M+Na]+	195.08927	143.6
[M+NH4]+	190.13387	141.1
[M+K]+	211.06321	139.6
[M-H]-	171.09277	133.5
[M+Na-2H]-	193.07472	138.0
[M]+	172.09950	134.1
[M]-	172.10060	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe