CID 66952

Benzene-1,3,5-triamine

Structural Information

Molecular Formula
C6H9N3
SMILES
C1=C(C=C(C=C1N)N)N
InChI
InChI=1S/C6H9N3/c7-4-1-5(8)3-6(9)2-4/h1-3H,7-9H2
InChIKey
RPHKINMPYFJSCF-UHFFFAOYSA-N
Compound name
benzene-1,3,5-triamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

7095
Patents

123.07965 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 122.4
[M+Na]+ 146.06887 132.9
[M+NH4]+ 141.11347 131.0
[M+K]+ 162.04281 127.9
[M-H]- 122.07237 126.2
[M+Na-2H]- 144.05432 129.1
[M]+ 123.07910 124.6
[M]- 123.08020 124.6
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