CID 82555194

7-(aminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine dihydrochloride

Structural Information

Molecular Formula
C7H9N5
SMILES
C1=CN2C(=NC(=N2)N)C=C1CN
InChI
InChI=1S/C7H9N5/c8-4-5-1-2-12-6(3-5)10-7(9)11-12/h1-3H,4,8H2,(H2,9,11)
InChIKey
VODXRTKWHKJOBR-UHFFFAOYSA-N
Compound name
7-(aminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.0858 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.093076 130.7
[M+Na]+ 186.075018 141.8
[M-H]- 162.078524 131.6
[M+NH4]+ 181.119623 149.8
[M+K]+ 202.048958 138.2
[M+H-H2O]+ 146.083060 122.9
[M+HCOO]- 208.084001 155.1
[M+CH3COO]- 222.099651 144.4
[M+Na-2H]- 184.060466 139.2
[M]+ 163.08525142 130.0
[M]- 163.08634858 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.