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]+ 183.04320 134.0
[M+Na]+ 205.02514 146.5
[M-H]- 181.02864 134.8
[M+NH4]+ 200.06974 153.6
[M+K]+ 220.99908 141.6
[M+H-H2O]+ 165.03318 126.7
[M+HCOO]- 227.03412 153.0
[M+CH3COO]- 241.04977 147.9
[M+Na-2H]- 203.01059 142.1
[M]+ 182.03537 136.6
[M]- 182.03647 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.