CID 33700197

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

Structural Information

Molecular Formula
C10H8N2O3
SMILES
CC1=NN=C(O1)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C10H8N2O3/c1-6-11-12-9(15-6)7-4-2-3-5-8(7)10(13)14/h2-5H,1H3,(H,13,14)
InChIKey
KBQBJFWYPQURSO-UHFFFAOYSA-N
Compound name
2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

204.0535 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 140.6
[M+Na]+ 227.04272 150.3
[M-H]- 203.04622 145.0
[M+NH4]+ 222.08732 156.7
[M+K]+ 243.01666 148.8
[M+H-H2O]+ 187.05076 133.2
[M+HCOO]- 249.05170 161.9
[M+CH3COO]- 263.06735 181.2
[M+Na-2H]- 225.02817 145.9
[M]+ 204.05295 142.6
[M]- 204.05405 142.6
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