CID 63382951

Lithium 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate

Structural Information

Molecular Formula
C6H6N2O3
SMILES
C1CC1C2=NC(=NO2)C(=O)O
InChI
InChI=1S/C6H6N2O3/c9-6(10)4-7-5(11-8-4)3-1-2-3/h3H,1-2H2,(H,9,10)
InChIKey
VZFYYDVXLBNMTN-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1,2,4-oxadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

154.03784 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 132.7
[M+Na]+ 177.02706 143.7
[M-H]- 153.03056 137.5
[M+NH4]+ 172.07166 146.0
[M+K]+ 193.00100 141.9
[M+H-H2O]+ 137.03510 125.5
[M+HCOO]- 199.03604 153.9
[M+CH3COO]- 213.05169 174.6
[M+Na-2H]- 175.01251 138.3
[M]+ 154.03729 136.3
[M]- 154.03839 136.3
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