CID 82418659

[1,2,4]triazolo[4,3-a]pyridin-6-ol

Structural Information

Molecular Formula
C6H5N3O
SMILES
C1=CC2=NN=CN2C=C1O
InChI
InChI=1S/C6H5N3O/c10-5-1-2-6-8-7-4-9(6)3-5/h1-4,10H
InChIKey
PASKHTGTPULKCZ-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[4,3-a]pyridin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

135.04326 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05054 122.1
[M+Na]+ 158.03248 133.9
[M-H]- 134.03598 122.3
[M+NH4]+ 153.07708 142.4
[M+K]+ 174.00642 131.1
[M+H-H2O]+ 118.04052 115.0
[M+HCOO]- 180.04146 144.6
[M+CH3COO]- 194.05711 136.6
[M+Na-2H]- 156.01793 132.2
[M]+ 135.04271 123.5
[M]- 135.04381 123.5
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

patents stripe