CID 117139751

3-(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol

Structural Information

Molecular Formula
C9H11N3O
SMILES
CC(C)C1=NN=C2N1C=C(C=C2)O
InChI
InChI=1S/C9H11N3O/c1-6(2)9-11-10-8-4-3-7(13)5-12(8)9/h3-6,13H,1-2H3
InChIKey
JPILYCWDSRJQAC-UHFFFAOYSA-N
Compound name
3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09021 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 136.6
[M+Na]+ 200.07943 147.7
[M-H]- 176.08293 136.9
[M+NH4]+ 195.12403 155.5
[M+K]+ 216.05337 144.6
[M+H-H2O]+ 160.08747 129.4
[M+HCOO]- 222.08841 157.1
[M+CH3COO]- 236.10406 150.1
[M+Na-2H]- 198.06488 143.2
[M]+ 177.08966 138.8
[M]- 177.09076 138.8
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

No patent data available for this compound.