CID 11194529

617705-26-7

Structural Information

Molecular Formula
C8H7NO3
SMILES
CCOC(=O)C1=COC(=N1)C#C
InChI
InChI=1S/C8H7NO3/c1-3-7-9-6(5-12-7)8(10)11-4-2/h1,5H,4H2,2H3
InChIKey
HOBJTKPWDGVNHQ-UHFFFAOYSA-N
Compound name
ethyl 2-ethynyl-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

165.04259 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 132.1
[M+Na]+ 188.03181 143.1
[M+NH4]+ 183.07641 135.5
[M+K]+ 204.00575 137.4
[M-H]- 164.03531 124.9
[M+Na-2H]- 186.01726 133.5
[M]+ 165.04204 130.6
[M]- 165.04314 130.6
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

patents stripe