CID 20289271

59624-08-7

Structural Information

Molecular Formula

C₆H₉N₃

SMILES

C1CCN2C=NN=C2C1

InChI

InChI=1S/C6H9N3/c1-2-4-9-5-7-8-6(9)3-1/h5H,1-4H2

InChIKey

MKOIWLVTFRQTJW-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 134
Patents: 123.07965 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	124.08693	124.1
[M+Na]+	146.06887	136.1
[M+NH4]+	141.11347	133.2
[M+K]+	162.04281	131.5
[M-H]-	122.07237	124.8
[M+Na-2H]-	144.05432	130.0
[M]+	123.07910	125.8
[M]-	123.08020	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe