CID 135954996

1h,4h,5h,6h,7h-[1,2,3]triazolo[4,5-b]pyridine

Structural Information

Molecular Formula
C5H8N4
SMILES
C1CC2=NNN=C2NC1
InChI
InChI=1S/C5H8N4/c1-2-4-5(6-3-1)8-9-7-4/h1-3H2,(H2,6,7,8,9)
InChIKey
MMVALNFEBZDYTA-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-2H-triazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

124.0749 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.082176 125.1
[M+Na]+ 147.064118 132.9
[M-H]- 123.067624 121.1
[M+NH4]+ 142.108723 143.1
[M+K]+ 163.038058 129.7
[M+H-H2O]+ 107.072160 117.1
[M+HCOO]- 169.073101 140.5
[M+CH3COO]- 183.088751 136.6
[M+Na-2H]- 145.049566 132.6
[M]+ 124.07435142 118.7
[M]- 124.07544858 118.7
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