CID 63382460

3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzoic acid

Structural Information

Molecular Formula
C11H10N2O4
SMILES
COCC1=NN=C(O1)C2=CC(=CC=C2)C(=O)O
InChI
InChI=1S/C11H10N2O4/c1-16-6-9-12-13-10(17-9)7-3-2-4-8(5-7)11(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKey
DAGKJRITTPHHRD-UHFFFAOYSA-N
Compound name
3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 147.9
[M+Na]+ 257.05328 156.9
[M-H]- 233.05678 152.1
[M+NH4]+ 252.09788 162.7
[M+K]+ 273.02722 155.8
[M+H-H2O]+ 217.06132 140.1
[M+HCOO]- 279.06226 169.1
[M+CH3COO]- 293.07791 186.4
[M+Na-2H]- 255.03873 152.7
[M]+ 234.06351 151.7
[M]- 234.06461 151.7
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.