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]+ 197.139696 143.4
[M+Na]+ 219.121638 151.4
[M-H]- 195.125144 143.2
[M+NH4]+ 214.166243 161.2
[M+K]+ 235.095578 148.4
[M+H-H2O]+ 179.129680 135.2
[M+HCOO]- 241.130621 162.6
[M+CH3COO]- 255.146271 185.4
[M+Na-2H]- 217.107086 148.0
[M]+ 196.13187142 141.3
[M]- 196.13296858 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.