CID 77520207

1398534-61-6

Structural Information

Molecular Formula
C6H8ClN3
SMILES
C1CCN2C(=NN=C2Cl)C1
InChI
InChI=1S/C6H8ClN3/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H2
InChIKey
OFTYXETUCVASIR-UHFFFAOYSA-N
Compound name
3-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.04068 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04796 130.0
[M+Na]+ 180.02990 139.7
[M-H]- 156.03340 129.9
[M+NH4]+ 175.07450 150.5
[M+K]+ 196.00384 136.3
[M+H-H2O]+ 140.03794 122.5
[M+HCOO]- 202.03888 144.5
[M+CH3COO]- 216.05453 143.0
[M+Na-2H]- 178.01535 136.7
[M]+ 157.04013 129.0
[M]- 157.04123 129.0
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.