CID 146082024

Methyl 4-nitro-1,2-oxazole-3-carboxylate

Structural Information

Molecular Formula
C5H4N2O5
SMILES
COC(=O)C1=NOC=C1[N+](=O)[O-]
InChI
InChI=1S/C5H4N2O5/c1-11-5(8)4-3(7(9)10)2-12-6-4/h2H,1H3
InChIKey
AAWHLATUJBRQOH-UHFFFAOYSA-N
Compound name
methyl 4-nitro-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.01202 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.019296 129.1
[M+Na]+ 195.001238 137.6
[M-H]- 171.004744 132.9
[M+NH4]+ 190.045843 147.6
[M+K]+ 210.975178 135.2
[M+H-H2O]+ 155.009280 127.8
[M+HCOO]- 217.010221 154.5
[M+CH3COO]- 231.025871 169.6
[M+Na-2H]- 192.986686 137.8
[M]+ 172.01147142 131.1
[M]- 172.01256858 131.1
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.