CID 145915466

1427416-71-4

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CCOC(=O)C1=NN=C2N1C=CC(=C2C)C
InChI
InChI=1S/C11H13N3O2/c1-4-16-11(15)10-13-12-9-8(3)7(2)5-6-14(9)10/h5-6H,4H2,1-3H3
InChIKey
JUTXURVWBNRRQA-UHFFFAOYSA-N
Compound name
ethyl 7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 147.6
[M+Na]+ 242.08999 161.3
[M+NH4]+ 237.13459 154.5
[M+K]+ 258.06393 157.4
[M-H]- 218.09349 147.6
[M+Na-2H]- 240.07544 152.8
[M]+ 219.10022 149.4
[M]- 219.10132 149.4
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.