CID 55267102

{8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methanamine dihydrochloride

Structural Information

Molecular Formula
C7H7ClN4
SMILES
C1=CN2C(=NN=C2C(=C1)Cl)CN
InChI
InChI=1S/C7H7ClN4/c8-5-2-1-3-12-6(4-9)10-11-7(5)12/h1-3H,4,9H2
InChIKey
HIYGVGANGMSGFC-UHFFFAOYSA-N
Compound name
(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.03592 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.043196 134.0
[M+Na]+ 205.025138 146.5
[M-H]- 181.028644 134.8
[M+NH4]+ 200.069743 153.6
[M+K]+ 220.999078 141.6
[M+H-H2O]+ 165.033180 126.7
[M+HCOO]- 227.034121 153.0
[M+CH3COO]- 241.049771 147.9
[M+Na-2H]- 203.010586 142.1
[M]+ 182.03537142 136.6
[M]- 182.03646858 136.6
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.