CID 206823

28740-91-2

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

C1CN2CCNCC3=CC=CC1=C32

InChI

InChI=1S/C11H14N2/c1-2-9-4-6-13-7-5-12-8-10(3-1)11(9)13/h1-3,12H,4-8H2

InChIKey

IGSAMATUDUKFPS-UHFFFAOYSA-N

Compound name

1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 174.11569 Da
Monoisotopic Mass: 1.2
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]+	175.12297	137.0
[M+Na]+	197.10491	143.1
[M-H]-	173.10841	138.7
[M+NH4]+	192.14951	156.8
[M+K]+	213.07885	141.6
[M+H-H2O]+	157.11295	130.4
[M+HCOO]-	219.11389	152.9
[M+CH3COO]-	233.12954	148.4
[M+Na-2H]-	195.09036	143.3
[M]+	174.11514	130.4
[M]-	174.11624	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe