CID 83870154

3-chloro-(1,2,4)triazolo(4,3-a)pyridin-6-amine

Structural Information

Molecular Formula
C6H5ClN4
SMILES
C1=CC2=NN=C(N2C=C1N)Cl
InChI
InChI=1S/C6H5ClN4/c7-6-10-9-5-2-1-4(8)3-11(5)6/h1-3H,8H2
InChIKey
INJOFHPUDWNPNY-UHFFFAOYSA-N
Compound name
3-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.02028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02756 127.9
[M+Na]+ 191.00950 142.7
[M+NH4]+ 186.05410 136.8
[M+K]+ 206.98344 137.8
[M-H]- 167.01300 129.5
[M+Na-2H]- 188.99495 135.5
[M]+ 168.01973 130.7
[M]- 168.02083 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.