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]+ 158.047956 130.0
[M+Na]+ 180.029898 139.7
[M-H]- 156.033404 129.9
[M+NH4]+ 175.074503 150.5
[M+K]+ 196.003838 136.3
[M+H-H2O]+ 140.037940 122.5
[M+HCOO]- 202.038881 144.5
[M+CH3COO]- 216.054531 143.0
[M+Na-2H]- 178.015346 136.7
[M]+ 157.04013142 129.0
[M]- 157.04122858 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.