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]+ 173.01930 129.5
[M+Na]+ 195.00124 140.6
[M+NH4]+ 190.04584 135.8
[M+K]+ 210.97518 142.3
[M-H]- 171.00474 131.0
[M+Na-2H]- 192.98669 133.2
[M]+ 172.01147 131.1
[M]- 172.01257 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.