CID 131094769

[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid

Structural Information

Molecular Formula
C6H4N4O2
SMILES
C1=CN2C=NN=C2C(=N1)C(=O)O
InChI
InChI=1S/C6H4N4O2/c11-6(12)4-5-9-8-3-10(5)2-1-7-4/h1-3H,(H,11,12)
InChIKey
FJIQDUCVFDFOML-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

164.03343 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.040706 129.3
[M+Na]+ 187.022648 140.9
[M-H]- 163.026154 128.3
[M+NH4]+ 182.067253 146.8
[M+K]+ 202.996588 138.3
[M+H-H2O]+ 147.030690 121.4
[M+HCOO]- 209.031631 149.8
[M+CH3COO]- 223.047281 142.8
[M+Na-2H]- 185.008096 138.2
[M]+ 164.03288142 131.3
[M]- 164.03397858 131.3
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