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 147.4
[M+Na]+ 242.08999 159.1
[M-H]- 218.09349 149.1
[M+NH4]+ 237.13459 165.4
[M+K]+ 258.06393 156.4
[M+H-H2O]+ 202.09803 139.7
[M+HCOO]- 264.09897 169.0
[M+CH3COO]- 278.11462 189.5
[M+Na-2H]- 240.07544 152.6
[M]+ 219.10022 153.2
[M]- 219.10132 153.2
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.