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]+ 173.08217 133.5
[M+Na]+ 195.06411 146.3
[M-H]- 171.06761 133.4
[M+NH4]+ 190.10871 150.6
[M+K]+ 211.03805 141.8
[M+H-H2O]+ 155.07215 118.5
[M+HCOO]- 217.07309 152.1
[M+CH3COO]- 231.08874 145.6
[M+Na-2H]- 193.04956 140.8
[M]+ 172.07434 130.8
[M]- 172.07544 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