CID 5200263

28524-64-3

Structural Information

Molecular Formula
C6H4N6
SMILES
C1=NC2=NC=NN2C(=C1C#N)N
InChI
InChI=1S/C6H4N6/c7-1-4-2-9-6-10-3-11-12(6)5(4)8/h2-3H,8H2
InChIKey
NBWNGUDSEUEFAE-UHFFFAOYSA-N
Compound name
7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.04974 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.057016 128.9
[M+Na]+ 183.038958 141.4
[M-H]- 159.042464 127.0
[M+NH4]+ 178.083563 144.3
[M+K]+ 199.012898 137.7
[M+H-H2O]+ 143.047000 113.1
[M+HCOO]- 205.047941 147.2
[M+CH3COO]- 219.063591 140.5
[M+Na-2H]- 181.024406 137.0
[M]+ 160.04919142 124.0
[M]- 160.05028858 124.0
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

No patent data available for this compound.