CID 50987852

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

Structural Information

Molecular Formula
C8H14N4
SMILES
CCC1=NN=C2N1CC(CC2)N
InChI
InChI=1S/C8H14N4/c1-2-7-10-11-8-4-3-6(9)5-12(7)8/h6H,2-5,9H2,1H3
InChIKey
LDICHKCDDISACA-UHFFFAOYSA-N
Compound name
3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

166.12184 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.129116 136.8
[M+Na]+ 189.111058 145.1
[M-H]- 165.114564 136.7
[M+NH4]+ 184.155663 156.0
[M+K]+ 205.084998 142.5
[M+H-H2O]+ 149.119100 128.9
[M+HCOO]- 211.120041 156.0
[M+CH3COO]- 225.135691 149.1
[M+Na-2H]- 187.096506 141.9
[M]+ 166.12129142 133.7
[M]- 166.12238858 133.7
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

patents stripe