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]+ 178.097486 136.6
[M+Na]+ 200.079428 147.7
[M-H]- 176.082934 136.9
[M+NH4]+ 195.124033 155.5
[M+K]+ 216.053368 144.6
[M+H-H2O]+ 160.087470 129.4
[M+HCOO]- 222.088411 157.1
[M+CH3COO]- 236.104061 150.1
[M+Na-2H]- 198.064876 143.2
[M]+ 177.08966142 138.8
[M]- 177.09075858 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.