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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 136.2
[M+Na]+ 215.04272 147.0
[M-H]- 191.04622 139.6
[M+NH4]+ 210.08732 154.8
[M+K]+ 231.01666 146.5
[M+H-H2O]+ 175.05076 129.2
[M+HCOO]- 237.05170 159.2
[M+CH3COO]- 251.06735 180.4
[M+Na-2H]- 213.02817 144.8
[M]+ 192.05295 142.0
[M]- 192.05405 142.0
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.