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]+ 161.05702 128.9
[M+Na]+ 183.03896 141.4
[M-H]- 159.04246 127.0
[M+NH4]+ 178.08356 144.3
[M+K]+ 199.01290 137.7
[M+H-H2O]+ 143.04700 113.1
[M+HCOO]- 205.04794 147.2
[M+CH3COO]- 219.06359 140.5
[M+Na-2H]- 181.02441 137.0
[M]+ 160.04919 124.0
[M]- 160.05029 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.