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]+ 164.09308 130.7
[M+Na]+ 186.07502 141.8
[M-H]- 162.07852 131.6
[M+NH4]+ 181.11962 149.8
[M+K]+ 202.04896 138.2
[M+H-H2O]+ 146.08306 122.9
[M+HCOO]- 208.08400 155.1
[M+CH3COO]- 222.09965 144.4
[M+Na-2H]- 184.06047 139.2
[M]+ 163.08525 130.0
[M]- 163.08635 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.