CID 140030818

Methyl 3-(prop-2-yn-1-yloxy)-1,2-oxazole-5-carboxylate

Structural Information

Molecular Formula
C8H7NO4
SMILES
COC(=O)C1=CC(=NO1)OCC#C
InChI
InChI=1S/C8H7NO4/c1-3-4-12-7-5-6(13-9-7)8(10)11-2/h1,5H,4H2,2H3
InChIKey
NRJUNBVAJRXDPT-UHFFFAOYSA-N
Compound name
methyl 3-prop-2-ynoxy-1,2-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0375 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.044776 131.2
[M+Na]+ 204.026718 142.0
[M-H]- 180.030224 132.5
[M+NH4]+ 199.071323 148.0
[M+K]+ 220.000658 141.5
[M+H-H2O]+ 164.034760 118.5
[M+HCOO]- 226.035701 148.9
[M+CH3COO]- 240.051351 186.4
[M+Na-2H]- 202.012166 135.9
[M]+ 181.03695142 130.5
[M]- 181.03804858 130.5
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.