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]+ 166.049866 129.3
[M+Na]+ 188.031808 140.2
[M-H]- 164.035314 130.6
[M+NH4]+ 183.076413 146.7
[M+K]+ 204.005748 139.2
[M+H-H2O]+ 148.039850 116.8
[M+HCOO]- 210.040791 146.7
[M+CH3COO]- 224.056441 184.5
[M+Na-2H]- 186.017256 133.9
[M]+ 165.04204142 127.3
[M]- 165.04313858 127.3
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