CID 89148020

3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

Structural Information

Molecular Formula
C9H8N4
SMILES
CCC1=NN=C2N1C=C(C=C2)C#N
InChI
InChI=1S/C9H8N4/c1-2-8-11-12-9-4-3-7(5-10)6-13(8)9/h3-4,6H,2H2,1H3
InChIKey
NOOABIBWCRVZRG-UHFFFAOYSA-N
Compound name
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

172.07489 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.082166 133.5
[M+Na]+ 195.064108 146.3
[M-H]- 171.067614 133.4
[M+NH4]+ 190.108713 150.6
[M+K]+ 211.038048 141.8
[M+H-H2O]+ 155.072150 118.5
[M+HCOO]- 217.073091 152.1
[M+CH3COO]- 231.088741 145.6
[M+Na-2H]- 193.049556 140.8
[M]+ 172.07434142 130.8
[M]- 172.07543858 130.8
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