CID 129989329

52787-22-1

Structural Information

Molecular Formula
C10H8N2O3
SMILES
C1=CC(=CC=C1CC(=O)O)C2=NN=CO2
InChI
InChI=1S/C10H8N2O3/c13-9(14)5-7-1-3-8(4-2-7)10-12-11-6-15-10/h1-4,6H,5H2,(H,13,14)
InChIKey
VEHNRKKIHDISPE-UHFFFAOYSA-N
Compound name
2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.0535 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 140.6
[M+Na]+ 227.04272 149.3
[M-H]- 203.04622 144.5
[M+NH4]+ 222.08732 156.4
[M+K]+ 243.01666 147.9
[M+H-H2O]+ 187.05076 132.9
[M+HCOO]- 249.05170 161.9
[M+CH3COO]- 263.06735 180.0
[M+Na-2H]- 225.02817 146.6
[M]+ 204.05295 142.2
[M]- 204.05405 142.2
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.