CID 23423461

Potassium 5-amino-1,3,4-oxadiazole-2-carboxylate

Structural Information

Molecular Formula
C3H3N3O3
SMILES
C1(=NN=C(O1)N)C(=O)O
InChI
InChI=1S/C3H3N3O3/c4-3-6-5-1(9-3)2(7)8/h(H2,4,6)(H,7,8)
InChIKey
CDCSNJVXRRSDFF-UHFFFAOYSA-N
Compound name
5-amino-1,3,4-oxadiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

129.01744 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.02472 120.3
[M+Na]+ 152.00666 129.7
[M-H]- 128.01016 120.9
[M+NH4]+ 147.05126 138.8
[M+K]+ 167.98060 130.1
[M+H-H2O]+ 112.01470 113.8
[M+HCOO]- 174.01564 142.7
[M+CH3COO]- 188.03129 167.6
[M+Na-2H]- 149.99211 126.9
[M]+ 129.01689 120.0
[M]- 129.01799 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

No literature data available for this compound.

Patent stripe

patents stripe