CID 24208814

4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoic acid

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CCC1=NC(=NO1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H10N2O3/c1-2-9-12-10(13-16-9)7-3-5-8(6-4-7)11(14)15/h3-6H,2H2,1H3,(H,14,15)
InChIKey
FKTMJZFSKHVEBY-UHFFFAOYSA-N
Compound name
4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

218.06914 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 145.3
[M+Na]+ 241.058358 154.5
[M-H]- 217.061864 149.5
[M+NH4]+ 236.102963 160.8
[M+K]+ 257.032298 152.8
[M+H-H2O]+ 201.066400 137.6
[M+HCOO]- 263.067341 166.3
[M+CH3COO]- 277.082991 184.2
[M+Na-2H]- 239.043806 150.0
[M]+ 218.06859142 147.6
[M]- 218.06968858 147.6
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