CID 72183144

Methyl 5-nitroisoxazole-3-carboxylate

Structural Information

Molecular Formula

C₅H₄N₂O₅

SMILES

COC(=O)C1=NOC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C5H4N2O5/c1-11-5(8)3-2-4(7(9)10)12-6-3/h2H,1H3

InChIKey

ALZGDNKOHYRWBP-UHFFFAOYSA-N

Compound name

methyl 5-nitro-1,2-oxazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 172.01202 Da
Monoisotopic Mass: 0.7
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]+	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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe