CID 84083092

1823607-31-3

Structural Information

Molecular Formula

C₉H₁₂N₄

SMILES

C1CC2C3=CN=C(N=C3CC1N2)N

InChI

InChI=1S/C9H12N4/c10-9-11-4-6-7-2-1-5(12-7)3-8(6)13-9/h4-5,7,12H,1-3H2,(H2,10,11,13)

InChIKey

IJAFYRDYHVMADW-UHFFFAOYSA-N

Compound name

4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 176.1062 Da
Monoisotopic Mass: -0.1
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]+	177.11348	136.8
[M+Na]+	199.09542	147.8
[M+NH4]+	194.14002	145.7
[M+K]+	215.06936	143.6
[M-H]-	175.09892	137.2
[M+Na-2H]-	197.08087	139.6
[M]+	176.10565	138.2
[M]-	176.10675	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe