CID 702889

107866-54-6

Structural Information

Molecular Formula
C7H6N4O
SMILES
CC(=O)N1C2=C(N=CC=C2)N=N1
InChI
InChI=1S/C7H6N4O/c1-5(12)11-6-3-2-4-8-7(6)9-10-11/h2-4H,1H3
InChIKey
SDYATKOQVBKTLQ-UHFFFAOYSA-N
Compound name
1-(triazolo[4,5-b]pyridin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

162.05415 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.061426 130.8
[M+Na]+ 185.043368 142.6
[M-H]- 161.046874 130.9
[M+NH4]+ 180.087973 149.2
[M+K]+ 201.017308 140.1
[M+H-H2O]+ 145.051410 122.5
[M+HCOO]- 207.052351 152.2
[M+CH3COO]- 221.068001 144.7
[M+Na-2H]- 183.028816 139.5
[M]+ 162.05360142 133.4
[M]- 162.05469858 133.4
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

patents stripe