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

6
Patents

129.01744 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.024716 120.3
[M+Na]+ 152.006658 129.7
[M-H]- 128.010164 120.9
[M+NH4]+ 147.051263 138.8
[M+K]+ 167.980598 130.1
[M+H-H2O]+ 112.014700 113.8
[M+HCOO]- 174.015641 142.7
[M+CH3COO]- 188.031291 167.6
[M+Na-2H]- 149.992106 126.9
[M]+ 129.01689142 120.0
[M]- 129.01798858 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