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

169
Patents

123.07965 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 123.4
[M+Na]+ 146.068868 131.5
[M-H]- 122.072374 123.3
[M+NH4]+ 141.113473 144.2
[M+K]+ 162.042808 130.0
[M+H-H2O]+ 106.076910 115.5
[M+HCOO]- 168.077851 142.8
[M+CH3COO]- 182.093501 136.6
[M+Na-2H]- 144.054316 131.5
[M]+ 123.07910142 120.4
[M]- 123.08019858 120.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe