CID 28317404

1082428-28-1

Structural Information

Molecular Formula
C9H12N4
SMILES
CC(C)C1=NN=C2N1C=C(C=C2)N
InChI
InChI=1S/C9H12N4/c1-6(2)9-12-11-8-4-3-7(10)5-13(8)9/h3-6H,10H2,1-2H3
InChIKey
LESOADRTXNTDHB-UHFFFAOYSA-N
Compound name
3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.1062 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.113476 137.3
[M+Na]+ 199.095418 148.0
[M-H]- 175.098924 138.4
[M+NH4]+ 194.140023 156.4
[M+K]+ 215.069358 144.8
[M+H-H2O]+ 159.103460 129.6
[M+HCOO]- 221.104401 159.5
[M+CH3COO]- 235.120051 150.7
[M+Na-2H]- 197.080866 143.9
[M]+ 176.10565142 138.3
[M]- 176.10674858 138.3
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.