CID 56828205

Lithium(1+) 5-(3-cyanophenyl)-1,2,4-oxadiazole-3-carboxylate

Structural Information

Molecular Formula
C10H5N3O3
SMILES
C1=CC(=CC(=C1)C2=NC(=NO2)C(=O)O)C#N
InChI
InChI=1S/C10H5N3O3/c11-5-6-2-1-3-7(4-6)9-12-8(10(14)15)13-16-9/h1-4H,(H,14,15)
InChIKey
CXEHYAKXSRNEEZ-UHFFFAOYSA-N
Compound name
5-(3-cyanophenyl)-1,2,4-oxadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.0331 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.040376 143.3
[M+Na]+ 238.022318 154.2
[M-H]- 214.025824 145.6
[M+NH4]+ 233.066923 156.6
[M+K]+ 253.996258 151.5
[M+H-H2O]+ 198.030360 128.2
[M+HCOO]- 260.031301 160.6
[M+CH3COO]- 274.046951 194.6
[M+Na-2H]- 236.007766 147.8
[M]+ 215.03255142 139.3
[M]- 215.03364858 139.3
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

No patent data available for this compound.