CID 15105329

2h,3h,5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyridin-3-one

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1CCN2C(=NNC2=O)C1
InChI
InChI=1S/C6H9N3O/c10-6-8-7-5-3-1-2-4-9(5)6/h1-4H2,(H,8,10)
InChIKey
VNJXPEWQUVGHKM-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

71
Patents

139.07455 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 126.8
[M+Na]+ 162.063768 135.6
[M-H]- 138.067274 125.8
[M+NH4]+ 157.108373 146.5
[M+K]+ 178.037708 133.0
[M+H-H2O]+ 122.071810 119.4
[M+HCOO]- 184.072751 145.0
[M+CH3COO]- 198.088401 139.5
[M+Na-2H]- 160.049216 133.6
[M]+ 139.07400142 123.1
[M]- 139.07509858 123.1
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