CID 249778

[1,2,4]triazolo[4,3-a]pyrazine

Structural Information

Molecular Formula
C5H4N4
SMILES
C1=CN2C=NN=C2C=N1
InChI
InChI=1S/C5H4N4/c1-2-9-4-7-8-5(9)3-6-1/h1-4H
InChIKey
NVSPJDGXKBDYIZ-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1028
Patents

120.043594 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.050870 118.4
[M+Na]+ 143.032812 130.2
[M-H]- 119.036318 118.3
[M+NH4]+ 138.077417 138.3
[M+K]+ 159.006752 128.0
[M+H-H2O]+ 103.040854 110.2
[M+HCOO]- 165.041795 141.1
[M+CH3COO]- 179.057445 133.0
[M+Na-2H]- 141.018260 130.2
[M]+ 120.04304542 120.0
[M]- 120.04414258 120.0
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

patents stripe