CID 129773776

Methyl 4-azido-1,2,5-oxadiazole-3-carboxylate

Structural Information

Molecular Formula
C4H3N5O3
SMILES
COC(=O)C1=NON=C1N=[N+]=[N-]
InChI
InChI=1S/C4H3N5O3/c1-11-4(10)2-3(6-9-5)8-12-7-2/h1H3
InChIKey
YJZCVACUEMJONL-UHFFFAOYSA-N
Compound name
methyl 4-azido-1,2,5-oxadiazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.02359 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03087 128.8
[M+Na]+ 192.01281 137.5
[M-H]- 168.01631 133.9
[M+NH4]+ 187.05741 146.9
[M+K]+ 207.98675 134.6
[M+H-H2O]+ 152.02085 125.4
[M+HCOO]- 214.02179 158.8
[M+CH3COO]- 228.03744 178.0
[M+Na-2H]- 189.99826 140.7
[M]+ 169.02304 129.9
[M]- 169.02414 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.