CID 66937011

[1,2,4]triazolo[1,5-a]pyridin-7-ol

Structural Information

Molecular Formula
C6H5N3O
SMILES
C1=CN2C(=CC1=O)N=CN2
InChI
InChI=1S/C6H5N3O/c10-5-1-2-9-6(3-5)7-4-8-9/h1-4H,(H,7,8)
InChIKey
BABOSZMRHSQJCE-UHFFFAOYSA-N
Compound name
3H-[1,2,4]triazolo[1,5-a]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

135.04326 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05054 121.6
[M+Na]+ 158.03248 133.7
[M-H]- 134.03598 121.8
[M+NH4]+ 153.07708 141.9
[M+K]+ 174.00642 130.3
[M+H-H2O]+ 118.04052 114.6
[M+HCOO]- 180.04146 144.3
[M+CH3COO]- 194.05711 136.2
[M+Na-2H]- 156.01793 131.7
[M]+ 135.04271 122.3
[M]- 135.04381 122.3
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