CID 92133683

37466-85-6

Structural Information

Molecular Formula

C₉H₈N₂O₃

SMILES

CCOC(=O)C1=CC=CC2=NON=C21

InChI

InChI=1S/C9H8N2O3/c1-2-13-9(12)6-4-3-5-7-8(6)11-14-10-7/h3-5H,2H2,1H3

InChIKey

JZLGXHQPSUKWEJ-UHFFFAOYSA-N

Compound name

ethyl 2,1,3-benzoxadiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.0535 Da
Monoisotopic Mass: 1.4
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]+	193.06078	137.0
[M+Na]+	215.04272	150.4
[M+NH4]+	210.08732	144.4
[M+K]+	231.01666	147.2
[M-H]-	191.04622	138.5
[M+Na-2H]-	213.02817	142.7
[M]+	192.05295	139.2
[M]-	192.05405	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.