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]+ 177.11348 137.3
[M+Na]+ 199.09542 148.0
[M-H]- 175.09892 138.4
[M+NH4]+ 194.14002 156.4
[M+K]+ 215.06936 144.8
[M+H-H2O]+ 159.10346 129.6
[M+HCOO]- 221.10440 159.5
[M+CH3COO]- 235.12005 150.7
[M+Na-2H]- 197.08087 143.9
[M]+ 176.10565 138.3
[M]- 176.10675 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.