CID 86164709

150176-08-2

Structural Information

Molecular Formula
C8H7N3O2
SMILES
COC(=O)C1=C2C=CC=CN2N=N1
InChI
InChI=1S/C8H7N3O2/c1-13-8(12)7-6-4-2-3-5-11(6)10-9-7/h2-5H,1H3
InChIKey
YXNPFPBARDKEEA-UHFFFAOYSA-N
Compound name
methyl triazolo[1,5-a]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

177.05383 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 133.4
[M+Na]+ 200.04305 144.6
[M-H]- 176.04655 134.8
[M+NH4]+ 195.08765 152.5
[M+K]+ 216.01699 142.6
[M+H-H2O]+ 160.05109 125.6
[M+HCOO]- 222.05203 156.1
[M+CH3COO]- 236.06768 178.2
[M+Na-2H]- 198.02850 141.7
[M]+ 177.05328 137.3
[M]- 177.05438 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe