CID 39869105

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

Structural Information

Molecular Formula
C9H16N4O
SMILES
C1CCN2C(=NN(C2=O)CCCN)C1
InChI
InChI=1S/C9H16N4O/c10-5-3-7-13-9(14)12-6-2-1-4-8(12)11-13/h1-7,10H2
InChIKey
BJIMLKYZBPCONX-UHFFFAOYSA-N
Compound name
2-(3-aminopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.13242 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.13970 143.4
[M+Na]+ 219.12164 151.4
[M-H]- 195.12514 143.2
[M+NH4]+ 214.16624 161.2
[M+K]+ 235.09558 148.4
[M+H-H2O]+ 179.12968 135.2
[M+HCOO]- 241.13062 162.6
[M+CH3COO]- 255.14627 185.4
[M+Na-2H]- 217.10709 148.0
[M]+ 196.13187 141.3
[M]- 196.13297 141.3
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

No patent data available for this compound.