CID 16770347

926193-87-5

Structural Information

Molecular Formula
C6H7N5
SMILES
C1=CN2C(=NN=C2CN)C=N1
InChI
InChI=1S/C6H7N5/c7-3-5-9-10-6-4-8-1-2-11(5)6/h1-2,4H,3,7H2
InChIKey
UZPUUBPBKMYCNN-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.07014 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07742 127.2
[M+Na]+ 172.05936 138.6
[M-H]- 148.06286 126.8
[M+NH4]+ 167.10396 145.7
[M+K]+ 188.03330 135.5
[M+H-H2O]+ 132.06740 118.8
[M+HCOO]- 194.06834 150.0
[M+CH3COO]- 208.08399 140.9
[M+Na-2H]- 170.04481 137.2
[M]+ 149.06959 127.9
[M]- 149.07069 127.9
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.