CID 69099

1,2,3-triaminobenzene dihydrochloride

Structural Information

Molecular Formula
C6H9N3
SMILES
C1=CC(=C(C(=C1)N)N)N
InChI
InChI=1S/C6H9N3/c7-4-2-1-3-5(8)6(4)9/h1-3H,7-9H2
InChIKey
RUOKPLVTMFHRJE-UHFFFAOYSA-N
Compound name
benzene-1,2,3-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4395
Patents

123.07965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 122.6
[M+Na]+ 146.06887 130.7
[M-H]- 122.07237 125.7
[M+NH4]+ 141.11347 143.6
[M+K]+ 162.04281 128.3
[M+H-H2O]+ 106.07691 116.9
[M+HCOO]- 168.07785 149.2
[M+CH3COO]- 182.09350 177.4
[M+Na-2H]- 144.05432 128.6
[M]+ 123.07910 116.9
[M]- 123.08020 116.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe