CID 33679132

1351615-33-2

Structural Information

Molecular Formula
C7H4N4O3
SMILES
C1=CN=C(C=N1)C2=NOC(=N2)C(=O)O
InChI
InChI=1S/C7H4N4O3/c12-7(13)6-10-5(11-14-6)4-3-8-1-2-9-4/h1-3H,(H,12,13)
InChIKey
YSLWFMVPQCLGIV-UHFFFAOYSA-N
Compound name
3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.02834 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.03562 136.0
[M+Na]+ 215.01756 146.0
[M-H]- 191.02106 137.5
[M+NH4]+ 210.06216 149.4
[M+K]+ 230.99150 144.7
[M+H-H2O]+ 175.02560 127.0
[M+HCOO]- 237.02654 155.4
[M+CH3COO]- 251.04219 148.7
[M+Na-2H]- 213.00301 143.1
[M]+ 192.02779 137.4
[M]- 192.02889 137.4
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.