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

229
Patents

162.05415 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06143 130.8
[M+Na]+ 185.04337 142.6
[M-H]- 161.04687 130.9
[M+NH4]+ 180.08797 149.2
[M+K]+ 201.01731 140.1
[M+H-H2O]+ 145.05141 122.5
[M+HCOO]- 207.05235 152.2
[M+CH3COO]- 221.06800 144.7
[M+Na-2H]- 183.02882 139.5
[M]+ 162.05360 133.4
[M]- 162.05470 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