CID 58081236

2124265-21-8

Structural Information

Molecular Formula

C₁₀H₈N₂O₃

SMILES

C1=CC=C(C=C1)CC2=NN=C(O2)C(=O)O

InChI

InChI=1S/C10H8N2O3/c13-10(14)9-12-11-8(15-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)

InChIKey

BEQQNTOPOKMNLY-UHFFFAOYSA-N

Compound name

5-benzyl-1,3,4-oxadiazole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 204.0535 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.06078	141.9
[M+Na]+	227.04272	154.6
[M+NH4]+	222.08732	148.6
[M+K]+	243.01666	151.9
[M-H]-	203.04622	144.3
[M+Na-2H]-	225.02817	148.6
[M]+	204.05295	144.2
[M]-	204.05405	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe